Supporting Information for the manuscript:
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- Hector Sharp
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1 Supporting Information for the manuscript: Effect of lanthanide contraction on crystal structures of Ln(III) coordination polymers with dinuclear SBUs based on 3-(4- hydroxypyridinium-1-yl) phthalic acid and oxalic acid Xiao-Li Sun, a Bing-Xue Shen, a Shuang-Quan Zang, a* and Chen-Xia Du a* College of Chemistry and Molecular Engineering, Zhengzhou University, Zhengzhou, , P. R. China *To whom correspondence should be addressed. zangsqzg@zzu.edu.cn; dcx@zzu.edu.cn Fax: ;
2 This PDF file includes Table S1 S2, and Figure S1 S8 Table S1.Selected Bond Distances and Angles for Compounds Table S2. Hydrogen bonds parameters in 1. Fig. S1. Hydrogen-bonding tape in 1. Fig. S2. Views of hydrogen-bond interactions in 3. Fig. S3. Local coordination environment of 6 with 30% thermal ellipsoids. Fig. S4. Local coordination environment of 8 with 30% thermal ellipsoids. Fig. S5. Thermogravimetric curve of the compounds 1, 3, 6, and 8. Fig. S6. Thermogravimetric curve of the compounds 2, 4, 5, 7 and Fig. S7.The simulated and experimental XRPD patterns for 1 2. Fig. S8. The simulated and experimental XRPD patterns for
3 Table S1. Selected Bond Distances and Angles for Compounds Compound 1 a La(1) O(1) 2.633(4) La(1) O(2)# (3) La(1) O(2) 2.654(3) La(1) O(3)# (3) La(1) O(1W) 2.555(4) La(1) O(5)# (3) La(1) O(2W) 2.612(4) La(1) O(7)# (3) La(1) O(6) 2.560(3) O(1) La(1) O(2) 49.16(10) O(2W) La(1) O(2) 75.65(11) O(7)#3 La(1) O(2) 70.39(11) O(2)#1 La(1) O(2) 65.72(12) O(6) La(1) O(2) 88.58(11) O(1W) La(1) O(2) (11) O(3)#1 La(1) O(2) (11) O(5)#2 La(1) O(2) (12) O(2W) La(1) O(1) 66.12(13) O(7)#3 La(1) O(1) (11) O(2)#1 La(1) O(1) (11) O(6) La(1) O(1) 70.48(13) O(1W) La(1) O(1) (13) O(3)#1 La(1) O(1) (12) O(5)#2 La(1) O(1) 80.26(12) O(7)#3 La(1) O(2W) (11) O(2)#1 La(1) O(2W) 81.90(12) O(6) La(1) O(2W) (13) O(1W) La(1) O(2W) (12) O(3)#1 La(1) O(2W) 72.22(13) O(5)#2 La(1) O(2W) 79.86(12) O(2)#1 La(1) O(7)# (10) O(6) La(1) O(7)# (10) O(1W) La(1) O(7)# (12) O(3)#1 La(1) O(7)# (11) O(5)#2 La(1) O(7)# (12) O(6) La(1) O(2)# (10) O(1W) La(1) O(2)# (12) O(3)#1 La(1) O(2)# (10) O(5)#2 La(1) O(2)# (11) O(1W) La(1) O(6) 75.17(13) O(3)#1 La(1) O(6) (13) O(5)#2 La(1) O(6) 77.13(11) O(3)#1 La(1) O(1W) 69.97(13) O(5)#2 La(1) O(1W) 78.05(13) O(5)#2 La(1) O(3)# (11) Compound 2 b Ce(1) O(1) 2.446(3) Ce(1) O(3) 2.564(3) Ce(1) O(4)# (3) Ce(1) O(3)# (3) Ce(1) O(1W) 2.540(4) Ce(1) O(5)# (3) Ce(1) O(2W) 2.576(4) Ce(1) O(7)# (3) Ce(1) O(6) 2.566(3) O(1) Ce(1) O(7)# (12) O(5)#1 Ce(1) O(1) 84.72(11) O(5)#1 Ce(1) O(1W) 77.63(13) 3
4 O(5)#1 Ce(1) O(7)# (11) O(7)#2 Ce(1) O(1W) 74.91(12) O(1W) Ce(1) O(3) (11) O(1) Ce(1) O(3) 69.02(11) O(5)#1 Ce(1) O(3) (11) O(1W) Ce(1) O(3) (12) O(7)#2 Ce(1) O(3) (10) O(5)#1 Ce(1) O(6) (12) O(6) Ce(1) O(1) (11) O(7)#2 Ce(1) O(6) 63.12(10) O(1W) Ce(1) O(6) 74.55(12) O(3) Ce(1) O(6) 69.64(10) O(5)#1 Ce(1) O(2W) 79.25(12) O(1) Ce(1) O(2W) 72.65(13) O(7)#2 Ce(1) O(2W) (12) O(1W) Ce(1) O(2W) (13) O(3) Ce(1) O(2W) 80.95(11) O(6) Ce(1) O(2W) (12) O(5)#1 Ce(1) O(4)# (11) O(1) Ce(1) O(4)# (12) O(7)#2 Ce(1) O(4)# (12) O(1W) Ce(1) O(4)# (13) O(3)#1 Ce(1) O(4)# (11) O(6) Ce(1) O(4)# (11) O(2W) Ce(1) O(4)# (13) O(5)#1 Ce(1) O(3)# (11) O(1)#1 Ce(1) O(3)# (11) O(7)#2 Ce(1) O(3)# (11) O(3)#3 Ce(1) O(1W) (12) O(2W) Ce(1) O(3)# (12) O(3)#3 Ce(1) O(3) 65.49(11) O(4)#3 Ce(1) O(3)# (10) O(6) Ce(1) O(3)# (10) Compound 3 c Pr(1) O(1) 2.541(3) Pr(1) O(9)# (3) Pr(1) O(2) 2.843(3) Pr(1) O(10) 2.483(3) Pr(1) O(1W) 2.456(3) Pr(1) O(3)# (3) Pr(1) O(2W) 2.450(3) Pr(1) O(4)# (3) Pr(1) O(7)# (3) Pr(2) O(2) 2.510(3) Pr(2) O(6) 2.477(3) Pr(2) O(11) 2.562(3) Pr(2) O(8) 2.482(3) Pr(2) O(12)# (3) Pr(2) O(3W) 2.488(3) Pr(2) O(13)# (3) Pr(2) O(10) 2.727(3) Pr(2) O(14)# (3) O(7)#2 Pr(1) O(2W) 97.06(11) O(7)#2 Pr(1) O(1W) (11) O(1W) Pr(1) O(2W) 78.12(12) O(7)#2 Pr(1) O(9)# (10) O(2W) Pr(1) O(9)# (12) O(1W) Pr(1) O(9)# (11) O(7)#2 Pr(1) O(10) (10) O(2W) Pr(1) O(10) 90.41(11) O(10) Pr(1) O(1W) 75.26(11) O(9)#2 Pr(1) O(10) (10) 4
5 O(7)#2 Pr(1) O(4)# (12) O(2W) Pr(1) O(4)# (10) O(1W) Pr(1) O(4)# (12) O(9)#2 Pr(1) O(4)# (12) O(10) Pr(1) O(4)# (11) O(7)#1 Pr(1) O(1) 71.20(11) O(2W) Pr(1) O(1) (11) O(1W) Pr(1) O(1) 90.34(12) O(9)#2 Pr(1) O(1) 74.62(11) O(10) Pr(1) O(1) (10) O(4)#1 Pr(1) O(1) (11) O(7)#2 Pr(1) O(3)# (10) O(2W) Pr(1) O(3)# (11) O(1W) Pr(1) O(3)# (10) O(9)#2 Pr(1) O(3)# (10) O(10) Pr(1) O(3)# (10) O(4)#1 Pr(1) O(3)# (10) O(1) Pr(1) O(3)# (11) O(7)#2 Pr(1) O(2)# (10) O(2W) Pr(1) O(2) (10) O(1W) Pr(1) O(2) 69.60(10) O(9)#2 Pr(1) O(2) (11) O(4)#1 Pr(1) O(2) (9) O(1) Pr(1) O(2) 48.01(10) O(3)#1 Pr(1) O(2) 83.75(10) O(10) Pr(1) O(2) 64.91(10) O(14)#4 Pr(2) O(8) 91.79(11) O(6) Pr(2) O(8) 65.85(9) O(14)#4 Pr(2) O(3W) 80.35(12) O(6) Pr(2) O(3W) 69.08(10) O(8) Pr(2) O(3W) (10) O(14)#4 Pr(2) O(2) 93.85(11) O(6) Pr(2) O(2) (10) O(8) Pr(2) O(2) (10) O(3W) Pr(2) O(6) 69.75(11) O(14)#4 Pr(2) O(12)# (10) O(6) Pr(2) O(12)# (11) O(8) Pr(2) O(12)# (11) O(3W) Pr(2) O(12)# (12) O(2) Pr(2) O(12)# (11) O(14)#4 Pr(2) O(11) (10) O(6) Pr(2) O(11) 68.76(10) O(8) Pr(2) O(11) 70.57(10) O(3W) Pr(2) O(11) 90.34(11) O(2) Pr(2) O(11) (10) O(12)#3 Pr(2) O(11) (10) O(14)#4 Pr(2) O(13)# (11) O(6) Pr(2) O(13)# (10) O(8) Pr(2) O(13)# (9) O(3W) Pr(2) O(13)# (10) O(2) Pr(2) O(13)# (10) O(12)#3 Pr(2) O(13)# (9) O(11) Pr(2) O(13)# (10) O(14)#4 Pr(2) O(10) (10) O(6) Pr(2) O(10) (10) O(8) Pr(2) O(10) (10) O(3W) Pr(2) O(10) 69.64(10) O(2) Pr(2) O(10) 66.42(10) O(12)#3 Pr(2) O(10) (9) O(11) Pr(2) O(10) 49.05(9) O(13)#3 Pr(2) O(10) 73.72(9) O(14)#4 Pr(2) O(2) 75.68(11) Compound 4 d 5
6 Nd(1) O(1) 2.725(3) Nd(2) O(7)# (3) Nd(1) O(2) 2.539(3) Nd(2) O(3W) 2.439(3) Nd(1) O(1W) 2.473(3) Nd(2) O(13)# (3) Nd(1) O(10) 2.494(3) Nd(2) O(9)# (3) Nd(1) O(5)# (3) Nd(2) O(2W) 2.426(3) Nd(1) O(6) 2.473(3) Nd(2) O(1) 2.470(3) Nd(1) O(8) 2.465(3) Nd(2) O(11) 2.514(3) Nd(1) O(4)# (3) Nd(2) O(12)# (3) Nd(1) O(3)# (2) Nd(2) O(10) 2.863(3) O(5)#1 Nd(1) O(8) 91.64(11) O(5)#1 Nd(1) O(6) 75.59(10) O(8) Nd(1) O(6) 66.26(9) O(5)#1 Nd(1) O(1W) 80.47(11) O(8) Nd(1) O(1W) (9) O(6) Nd(1) O(1W) 69.00(10) O(5)#1 Nd(1) O(10) 93.76(11) O(8) Nd(1) O(10) (9) O(6) Nd(1) O(10) (9) O(1W) Nd(1) O(10) 69.97(10) O(5)#1 Nd(1) O(4)# (10) O(8) Nd(1) O(4)# (10) O(6) Nd(1) O(4)# (11) O(1W) Nd(1) O(4)# (10) O(10) Nd(1) O(4)# (11) O(5)#1 Nd(1) O(2) (10) O(8) Nd(1) O(2) 70.92(10) O(6) Nd(1) O(2) 69.08(9) O(1W) Nd(1) O(2) 90.36(10) O(10) Nd(1) O(2) (10) O(4)#2 Nd(1) O(2) (9) O(5)#1 Nd(1) O(3)# (10) O(8) Nd(1) O(3)# (9) O(6) Nd(1) O(3)# (9) O(1W) Nd(1) O(3)# (10) O(10) Nd(1) O(3)# (9) O(4)#2 Nd(1) O(3)# (9) O(2) Nd(1) O(3)# (9) O(5)#1 Nd(1) O(1) (10) O(8) Nd(1) O(1) (9) O(6) Nd(1) O(1) (10) O(1W) Nd(1) O(1) 69.66(10) O(10) Nd(1) O(1) 66.35(10) O(1) Nd(1) O(2) 49.18(9) O(4)#2 Nd(1) O(1) (9) O(3)#2 Nd(1) O(1) 73.40(9) O(2W) Nd(2) O(7)# (11) O(9)#3 Nd(2) O(11) 75.24(10) O(2W) Nd(2) O(3W) 78.48(11) O(1) Nd(2) O(11) (10) O(7)#3 Nd(2) O(3W) (10) O(2W) Nd(2) O(12)# (10) O(2W) Nd(2) O(13)# (10) O(7)#3 Nd(2) O(12)# (9) O(7)#3 Nd(2) O(13)# (11) O(3W) Nd(2) O(12)# (10) 6
7 O(3W) Nd(2) O(13)# (11) O(13)#4 Nd(2) O(12)# (9) O(2W) Nd(2) O(9)# (11) O(9)#3 Nd(2) O(12)# (9) O(7)#3 Nd(2) O(9)# (9) O(1) Nd(2) O(12)# (9) O(3W) Nd(2) O(9)# (10) O(11) Nd(2) O(12)# (10) O(13)#4 Nd(2) O(9)# (11) O(2W) Nd(2) O(10) (10) O(2W) Nd(2) O(1) 90.13(10) O(7)#3 Nd(2) O(10) (9) O(7)#3 Nd(2) O(1) (9) O(3W) Nd(2) O(10) 69.03(10) O(3W) Nd(2) O(1) 74.74(10) O(13)#4 Nd(2) O(10) (9) O(13)#4 Nd(2) O(1) 84.22(11) O(9)#3 Nd(2) O(10) (10) O(9)#3 Nd(2) O(1) (9) O(1) Nd(2) O(10) 64.44(9) O(2W) Nd(2) O(11) (10) O(11) Nd(2) O(10) 47.80(9) O(7)#3 Nd(2) O(11) 71.68(11) O(12)#4 Nd(2) O(10) 83.79(9) O(3W) Nd(2) O(11) 90.12(11) O(9)#3 Nd(2) O(11) 75.24(10) Compound 5 e Sm(1) O(5)# (4) Sm(2) O(2W) 2.390(4) Sm(1) O(11) 2.428(4) Sm(2) O(7)# (4) Sm(1) O(8) 2.433(4) Sm(2) O(1W) 2.410(4) Sm(1) O(3W) 2.439(4) Sm(2) O(2) 2.426(4) Sm(1) O(6) 2.454(4) Sm(2) O(9)# (4) Sm(1) O(4)# (4) Sm(2) O(13)# (4) Sm(1) O(1) 2.495(4) Sm(2) O(10) 2.467(4) Sm(1) O(3)# (4) Sm(2) O(12)# (4) Sm(1) O(2) 2.784(4) O(6) Sm(1) O(1) 69.43(13) O(5)#1 Sm(1) O(11) 92.75(15) O(4)#2 Sm(1) O(1) (13) O(5)#1 Sm(1) O(8) 91.25(16) O(5)#1 Sm(1) O(3)# (14) O(11) Sm(1) O(8) (13) O(11) Sm(1) O(3)# (12) O(5)#1 Sm(1) O(3W) 81.17(15) O(8) Sm(1) O(3)# (13) O(11) Sm(1) O(3W) 70.72(13) O(3W) Sm(1) O(3)# (14) O(8) Sm(1) O(3W) (13) O(6) Sm(1) O(3)# (12) O(5)#1 Sm(1) O(6) 75.25(14) O(4)#2 Sm(1) O(3)# (12) O(11) Sm(1) O(6) (13) O(1) Sm(1) O(3)# (13) O(8) Sm(1) O(6) 66.57(13) O(5)#1 Sm(1) O(2) (15) 7
8 O(3W) Sm(1) O(6) 68.90(13) O(11) Sm(1) O(2) 68.09(12) O(5)#1 Sm(1) O(4)# (14) O(8) Sm(1) O(2) (13) O(11) Sm(1) O(4)# (14) O(3W) Sm(1) O(2) 68.59(12) O(8) Sm(1) O(4)# (14) O(6) Sm(1) O(2) (13) O(3W) Sm(1) O(4)# (13) O(4)#2 Sm(1) O(2) (13) O(6) Sm(1) O(4)# (15) O(1) Sm(1) O(2) 48.91(13) O(3)#2 Sm(1) O(2) 72.74(12) O(9)#3 Sm(2) O(13)# (16) O(2W) Sm(2) O(7)# (16) O(2W) Sm(2) O(10) (16) O(2W) Sm(2) O(1W) 79.09(15) O(7)#3 Sm(2) O(10) 73.70(15) O(7)#3 Sm(2) O(1W) (14) O(1W) Sm(2) O(10) 88.00(15) O(2W) Sm(2) O(2) 90.75(15) O(2) Sm(2) O(10) (15) O(7)#3 Sm(2) O(2) (14) O(9)#3 Sm(2) O(10) 76.50(15) O(1W) Sm(2) O(2) 74.04(14) O(13)#4 Sm(2) O(10) (15) O(2W) Sm(2) O(9)# (15) O(2W) Sm(2) O(12)# (14) O(7)#3 Sm(2) O(9)# (14) O(7)#3 Sm(2) O(12)# (14) O(1W) Sm(2) O(9)# (15) O(1W) Sm(2) O(12)# (15) O(2) Sm(2) O(9)# (14) O(2) Sm(2) O(12)# (14) O(2W) Sm(2) O(13)# (14) O(9)#3 Sm(2) O(12)# (13) O(7)#3 Sm(2) O(13)# (15) O(13)#4 Sm(2) O(12)# (13) O(1W) Sm(2) O(13)# (14) O(10) Sm(2) O(12)# (14) O(2) Sm(2) O(13)# (15) Compound 6 f Eu(1) O(5)# (3) Eu(1) O(2) 2.459(3) Eu(1) O(10) 2.379(3) Eu(1) O(4)# (3) Eu(1) O(8) 2.422(3) Eu(1) O(3)# (3) Eu(1) O(1W) 2.429(3) Eu(1) O(1) 2.852(3) Eu(1) O(6) 2.448(3) Eu(2) O(11) 2.408(4) Eu(2) O(2W) 2.369(3) Eu(2) O(13)# (4) Eu(2) O(7)# (3) Eu(2) O(9)# (3) Eu(2) O(1) 2.403(3) Eu(2) O(12)# (3) Eu(2) O(3W) 2.410(3) O(1W) Eu(1) O(4)# (11) O(5)#1 Eu(1) O(10) 91.83(13) O(6) Eu(1) O(4)# (10) 8
9 O(5)#1 Eu(1) O(8) 90.91(12) O(2) Eu(1) O(4)# (10) O(10) Eu(1) O(8) (12) O(5)#1 Eu(1) O(3)# (12) O(5)#1 Eu(1) O(1W) 82.21(12) O(10) Eu(1) O(3)# (11) O(10) Eu(1) O(1W) 71.40(12) O(8) Eu(1) O(3)# (10) O(8) Eu(1) O(1W) (11) O(1W) Eu(1) O(3)# (11) O(5)#1 Eu(1) O(6) 75.15(11) O(6) Eu(1) O(3)# (10) O(10) Eu(1) O(6) (11) O(2) Eu(1) O(3)# (11) O(8) Eu(1) O(6) 67.16(10) O(4)#2 Eu(1) O(3)# (10) O(1W) Eu(1) O(6) 68.96(11) O(5)#1 Eu(1) O(1) (11) O(5)#1 Eu(1) O(2) (11) O(10) Eu(1) O(1) 70.06(12) O(10) Eu(1) O(2) (12) O(8) Eu(1) O(1) (10) O(8) Eu(1) O(2) 71.93(11) O(1W) Eu(1) O(1) 67.43(10) O(1W) Eu(1) O(2) 88.83(11) O(6) Eu(1) O(1) (10) O(6) Eu(1) O(2) 69.44(10) O(2) Eu(1) O(1) 48.21(9) O(5)#1 Eu(1) O(4)# (11) O(4)#2 Eu(1) O(1) (9) O(10) Eu(1) O(4)# (12) O(3)#2 Eu(1) O(1) 72.54(10) O(8) Eu(1) O(4)# (11) O(11) Eu(2) O(13)# (11) O(2W) Eu(2) O(7)# (11) O(2W) Eu(2) O(9)# (11) O(2W) Eu(2) O(1) 90.74(10) O(7)#3 Eu(2) O(9)# (10) O(7)#3 Eu(2) O(1) (11) O(1) Eu(2) O(9)# (11) O(2W) Eu(2) O(3W) 79.34(11) O(3W) Eu(2) O(9)# (11) O(7)#3 Eu(2) O(3W) (11) O(11) Eu(2) O(9)# (12) O(1) Eu(2) O(3W) 73.23(11) O(13)#4 Eu(2) O(9)# (12) O(2W) Eu(2) O(11) (12) O(2W) Eu(2) O(12)# (11) O(7)#3 Eu(2) O(11) 75.63(12) O(7)#3 Eu(2) O(12)# (10) O(1) Eu(2) O(11) (11) O(1) Eu(2) O(12)# (11) O(3W) Eu(2) O(11) 85.69(12) O(3W) Eu(2) O(12)# (10) O(2W) Eu(2) O(13)# (11) O(11) Eu(2) O(12)# (12) O(7)#3 Eu(2) O(13)# (12) O(13)#4 Eu(2) O(12)# (10) O(1) Eu(2) O(13)# (12) O(9)#3 Eu(2) O(12)# (11) O(3W) Eu(2) O(13)# (12) Compound 7 g 9
10 Gd(1) O(5)# (4) Gd(1) O(2) 2.436(4) Gd(1) O(10) 2.365(4) Gd(1) O(4)# (4) Gd(1) O(8) 2.405(4) Gd(1) O(3)# (3) Gd(1) O(1W) 2.407(4) Gd(2) O(3W) 2.395(4) Gd(1) O(6) 2.433(4) Gd(2) O(9)# (4) Gd(2) O(2W) 2.345(4) Gd(2) O(13)# (4) Gd(2) O(1) 2.384(4) Gd(2) O(12)# (4) Gd(2) O(7)# (4) Gd(2) O(11) 2.391(4) O(10) Gd(1) O(3)# (13) O(5)#1 Gd(1) O(10) 91.95(15) O(8) Gd(1) O(3)# (12) O(1W) Gd(1) O(3)# (13) O(5)#1 Gd(1) O(8) 90.62(14) O(6) Gd(1) O(3)# (12) O(10) Gd(1) O(8) (14) O(2) Gd(1) O(3)# (12) O(5)#1 Gd(1) O(1W) 83.04(14) O(4)#2 Gd(1) O(3)# (12) O(10) Gd(1) O(1W) 71.78(14) O(8) Gd(1) O(6) 67.25(12) O(8) Gd(1) O(1W) (14) O(1W) Gd(1) O(6) 68.87(13) O(5)#1 Gd(1) O(6) 74.57(14) O(5)#1 Gd(1) O(2) (15) O(10) Gd(1) O(6) (13) O(10) Gd(1) O(2) (14) O(8) Gd(1) O(2) 72.56(13) O(8) Gd(1) O(4)# (14) O(1W) Gd(1) O(2) 87.72(13) O(1W) Gd(1) O(4)# (14) O(6) Gd(1) O(2) 70.09(13) O(6) Gd(1) O(4)# (13) O(5)#1 Gd(1) O(4)# (13) O(2) Gd(1) O(4)# (12) O(10) Gd(1) O(4)# (14) O(3W) Gd(2) O(9)# (13) O(5)#1 Gd(1) O(3)# (13) O(2W) Gd(2) O(13)# (13) O(2W) Gd(2) O(1) 91.67(14) O(1) Gd(2) O(13)# (14) O(2W) Gd(2) O(7)# (14) O(7)#3 Gd(2) O(13)# (14) O(1) Gd(2) O(7)# (13) O(11) Gd(2) O(13)# (13) O(2W) Gd(2) O(11) (16) O(3W) Gd(2) O(13)# (14) O(1) Gd(2) O(11) (14) O(9)#3 Gd(2) O(13)# (14) O(7)#3 Gd(2) O(11) 77.63(14) O(2W) Gd(2) O(12)# (14) O(2W) Gd(2) O(3W) 80.27(13) O(1) Gd(2) O(12)# (13) O(1) Gd(2) O(3W) 72.84(14) O(7)#3 Gd(2) O(12)# (13) O(7)#3 Gd(2) O(3W) (14) O(11) Gd(2) O(12)# (13) 10
11 O(11) Gd(2) O(3W) 83.65(14) O(3W) Gd(2) O(12)# (13) O(2W) Gd(2) O(9)# (15) O(9)#3 Gd(2) O(12)# (12) O(1) Gd(2) O(9)# (12) O(13)#4 Gd(2) O(12)# (12) O(7)#3 Gd(2) O(9)# (13) O(11) Gd(2) O(9)# (15) Compound 8 h Tb(1) O(2W) 2.328(3) Tb(1) O(1W) 2.388(3) Tb(1) O(11)# (3) Tb(1) O(8) 2.394(3) Tb(1) O(6) 2.366(3) Tb(1) O(1) 2.408(4) Tb(1) O(4)# (3) Tb(1) O(2) 2.513(3) Tb(2) O(14)# (3) Tb(2) O(10) 2.412(3) Tb(2) O(3)# (3) Tb(2) O(7) 2.423(3) Tb(2) O(3W) 2.387(3) Tb(2) O(13)# (3) Tb(2) O(9) 2.388(3) Tb(2) O(12)# (3) O(2W) Tb(1) O(6) (12) O(2W) Tb(1) O(1) 69.46(11) O(11)#1 Tb(1) O(6) (11) O(11)#1 Tb(1) O(1) 84.84(12) O(2W) Tb(1) O(4)# (12) O(6) Tb(1) O(1) 76.80(12) O(11)#1 Tb(1) O(4)# (12) O(4)#2 Tb(1) O(1) (11) O(6) Tb(1) O(4)# (12) O(1W) Tb(1) O(1) (11) O(2W) Tb(1) O(1W) 80.15(12) O(8) Tb(1) O(1) (13) O(11)#1 Tb(1) O(1W) 73.00(11) O(2W) Tb(1) O(2) (11) O(6) Tb(1) O(1W) (10) O(11)#1 Tb(1) O(2) 77.28(11) O(4)#2 Tb(1) O(1W) 82.31(12) O(6) Tb(1) O(2) 74.58(10) O(2W) Tb(1) O(8) 78.62(12) O(4)#2 Tb(1) O(2) 80.99(11) O(11)#1 Tb(1) O(8) (12) O(1W) Tb(1) O(2) (11) O(6) Tb(1) O(8) 67.63(10) O(8) Tb(1) O(2) (10) O(4)#2 Tb(1) O(8) 80.26(12) O(1) Tb(1) O(2) 53.40(11) O(1W) Tb(1) O(8) 67.44(11) O(2W) Tb(1) O(1) 69.46(11) O(14)#3 Tb(2) O(3)# (12) O(10) Tb(2) O(7) 70.67(11) O(14)#3 Tb(2) O(3W) 84.05(13) O(14)#3 Tb(2) O(13)# (12) O(3)#3 Tb(2) O(3W) 72.37(11) O(3)#3 Tb(2) O(13)# (12) O(14)#3 Tb(2) O(9) 90.56(12) O(3W) Tb(2) O(13)# (11) O(3)#3 Tb(2) O(9) (12) O(9) Tb(2) O(13)# (11) 11
12 O(3W) Tb(2) O(9) (10) O(10) Tb(2) O(13)# (10) O(14)#3 Tb(2) O(10) (11) O(7) Tb(2) O(13)# (11) O(3)#3 Tb(2) O(10) (12) O(14)#3 Tb(2) O(12)# (12) O(3W) Tb(2) O(10) 86.36(12) O(3)#3 Tb(2) O(12)# (10) O(9) Tb(2) O(10) 73.77(11) O(3W) Tb(2) O(12)# (11) Compound 9 i Dy(1) O(2W) 2.319(4) Dy(1) O(1W) 2.385(4) Dy(1) O(12)# (4) Dy(1) O(8) 2.388(4) Dy(1) O(1) 2.348(4) Dy(1) O(4)# (4) Dy(1) O(6) 2.362(3) Dy(1) O(3)# (4) Dy(2) O(14)# (4) Dy(2) O(13)# (3) Dy(2) O(2)# (4) Dy(2) O(7) 2.412(4) Dy(2) O(3W) 2.381(4) Dy(2) O(11) 2.447(4) Dy(2) O(9) 2.378(3) Dy(2) O(10) 2.504(4) O(2W) Dy(1) O(12)# (14) O(12)#1 Dy(1) O(1W) 72.76(13) O(2W) Dy(1) O(1) (15) O(1) Dy(1) O(1W) 81.89(13) O(12)#1 Dy(1) O(1) 97.87(14) O(6) Dy(1) O(1W) (13) O(2W) Dy(1) O(6) (14) O(2W) Dy(1) O(8) 78.51(14) O(12)#1 Dy(1) O(6) (13) O(12)#1 Dy(1) O(8) (13) O(1) Dy(1) O(6) 79.62(13) O(1) Dy(1) O(8) 81.03(14) O(2W) Dy(1) O(1W) 80.32(13) O(6) Dy(1) O(8) 67.84(12) O(1W) Dy(1) O(8) 67.51(13) O(6) Dy(1) O(4)# (13) O(2W) Dy(1) O(4)# (14) O(1W) Dy(1) O(4)# (13) O(12)#1 Dy(1) O(4)# (14) O(8) Dy(1) O(4)# (14) O(1) Dy(1) O(4)# (14) O(2W) Dy(1) O(3)# (13) O(12)#1 Dy(1) O(3)# (12) O(2)#4 Dy(2) O(7) (13) O(14)#3 Dy(2) O(2)# (15) O(3W) Dy(2) O(7) 69.07(13) O(14)#3 Dy(2) O(3W) 84.78(14) O(9) Dy(2) O(7) 67.79(12) O(2)#4 Dy(2) O(3W) 72.01(14) O(13)#5 Dy(2) O(7) 70.94(13) O(14)#3 Dy(2) O(9) 90.61(14) O(14)#3 Dy(2) O(11) 80.97(14) O(2)#4 Dy(2) O(9) (14) O(2)#4 Dy(2) O(11) 79.43(13) O(3W) Dy(2) O(9) (13) O(3W) Dy(2) O(11) (12) 12
13 O(14)#3 Dy(2) O(13)# (14) O(9) Dy(2) O(11) 73.13(12) O(2)#4 Dy(2) O(13)# (13) O(13)#5 Dy(2) O(11) (12) O(3W) Dy(2) O(13)# (13) O(7) Dy(2) O(11) (12) O(9) Dy(2) O(13)# (12) O(14)#3 Dy(2) O(10) (13) O(14)#3 Dy(2) O(7) 74.68(14) O(2)#4 Dy(2) O(10) 79.98(13) O(13)#5 Dy(2) O(10) 74.17(12) O(3W) Dy(2) O(10) (13) O(7) Dy(2) O(10) (11) O(9) Dy(2) O(10) 78.01(12) O(11) Dy(2) O(10) 52.59(12) Compound 10 j Er(1) O(11)# (6) Er(1) O(8) 2.375(5) Er(1) O(1W) 2.294(6) Er(1) O(4)# (6) Er(1) O(1) 2.330(6) Er(1) O(2W) 2.380(5) Er(1) O(6) 2.334(6) Er(1) O(3)# (5) Er(2) O(14)# (6) Er(2) O(10) 2.359(6) Er(2) O(2)# (6) Er(2) O(7) 2.400(5) Er(2) O(9) 2.346(5) Er(2) O(13)# (5) Er(2) O(3W) 2.354(5) Er(2) O(12)# (5) O(11)#1 Er(1) O(1W) 90.9(2) O(1) Er(1) O(4)# (18) O(11)#1 Er(1) O(1) 96.8(2) O(6) Er(1) O(4)#2 76.5(2) O(1W) Er(1) O(1) 156.5(2) O(8) Er(1) O(4)# (2) O(11)#1 Er(1) O(6) (18) O(11)#1 Er(1) O(2W) 72.91(19) O(1W) Er(1) O(6) 102.7(2) O(1W) Er(1) O(2W) 80.4(2) O(1) Er(1) O(6) 80.7(2) O(1) Er(1) O(2W) 80.80(19) O(11)#1 Er(1) O(8) (19) O(6) Er(1) O(2W) (18) O(1W) Er(1) O(8) 78.4(2) O(8) Er(1) O(2W) 67.49(19) O(1) Er(1) O(8) 81.5(2) O(4)#2 Er(1) O(2W) (19) O(6) Er(1) O(8) 68.18(18) O(11)#1 Er(1) O(3)# (18) O(11)#1 Er(1) O(4)#2 84.8(2) O(1W) Er(1) O(3)# (2) O(1W) Er(1) O(4)# (18) O(1) Er(1) O(3)# (19) O(6) Er(1) O(3)# (18) O(4)#2 Er(1) O(3)# (18) O(8) Er(1) O(3)# (19) O(2W) Er(1) O(3)# (19) O(14)#3 Er(2) O(2)#4 92.0(2) O(3W) Er(2) O(7) 68.81(19) 13
14 O(14)#3 Er(2) O(9) 90.3(2) O(10) Er(2) O(7) 71.50(18) O(2)#4 Er(2) O(9) (19) O(14)#3 Er(2) O(13)# (19) O(14)#3 Er(2) O(3W) 85.6(2) O(2)#4 Er(2) O(13)#5 78.9(2) O(2)#4 Er(2) O(3W) 72.10(19) O(9) Er(2) O(13)# (19) O(9) Er(2) O(3W) (18) O(3W) Er(2) O(13)# (2) O(14)#3 Er(2) O(10) (19) O(10) Er(2) O(13)# (17) O(2)#4 Er(2) O(10) 115.0(2) O(7) Er(2) O(13)# (2) O(9) Er(2) O(10) 75.63(19) O(14)#3 Er(2) O(12)# (19) O(3W) Er(2) O(10) 84.29(19) O(2)#4 Er(2) O(12)# (17) O(14)#3 Er(2) O(7) 74.9(2) O(9) Er(2) O(12)# (17) O(2)#4 Er(2) O(7) (18) O(3W) Er(2 O(12)# (19) O(9) Er(2) O(7) 68.40(18) O(10) Er(2) O(12)# (17) O(13)#5 Er(2) O(12)# (18) O(7) Er(2) O(12)# (17) Compound 11 k Yb(1) O(1W) 2.258(3) Yb(1) O(2W) 2.337(3) Yb(1) O(1) 2.262(3) Yb(1) O(13)# (4) Yb(1) O(10) 2.294(3) Yb(1) O(8) 2.359(3) Yb(1) O(6) 2.318(3) Yb(1) O(12)# (3) Yb(2) O(5)# (3) Yb(2) O(9)# (3) Yb(2) O(11) 2.290(3) Yb(2) O(7)# (3) Yb(2) O(3W) 2.322(3) Yb(2) O(4)# (3) Yb(2) O(2) 2.328(3) Yb(2) O(3)# (3) O(1W) Yb(1) O(1) 90.33(12) O(2W) Yb(1) O(13)# (11) O(1W) Yb(1) O(10) (12) O(1W) Yb(1) O(8) 78.46(13) O(1) Yb(1) O(10) 96.48(12) O(1) Yb(1) O(8) (11) O(1W) Yb(1) O(6) (12) O(10) Yb(1) O(8) 82.10(12) O(1) Yb(1) O(6) (11) O(6) Yb(1) O(8) 68.65(11) O(10) Yb(1) O(6) 81.57(12) O(2W) Yb(1) O(8) 67.48(11) O(1W) Yb(1) O(2W) 79.96(12) O(13)#1 Yb(1) O(8) (12) O(1) Yb(1) O(2W) 72.94(11) O(1W) Yb(1) O(12)# (12) O(10) Yb(1) O(2W) 80.79(12) O(1) Yb(1) O(12)# (11) O(6) Yb(1) O(2W) (11) O(10) Yb(1) O(12)# (12) 14
15 O(1W) Yb(1) O(13)# (12) O(6) Yb(1) O(12)# (11) O(1) Yb(1) O(13)# (12) O(2W) Yb(1) O(12)# (11) O(10) Yb(1) O(13)# (11) O(13)#1 Yb(1) O(12)# (11) O(6) Yb(1) O(13)# (12) O(8) Yb(1) O(12)# (10) O(5)#2 Yb(2) O(11) 92.23(13) O(9)#3 Yb(2) O(7)# (10) O(5)#2 Yb(2) O(3W) 85.56(13) O(5)#2 Yb(2) O(4)# (12) O(11) Yb(2) O(3W) 72.23(12) O(11) Yb(2) O(4)# (12) O(5)#2 Yb(2) O(2) (12) O(3W) Yb(2) O(4)# (11) O(11) Yb(2) O(2) (12) O(2) Yb(2) O(4)# (10) O(3W) Yb(2) O(2) 83.66(12) O(9)#3 Yb(2) O(4)# (11) O(5)#2 Yb(2) O(9)# (13) O(7)#3 Yb(2) O(4)# (11) O(11) Yb(2) O(9)# (12) O(5)#2 Yb(2) O(3)# (12) O(3W) Yb(2) O(9)# (11) O(11) Yb(2) O(3)# (11) O(2) Yb(2) O(9)# (12) O(3W) Yb(2) O(3)# (11) O(5)#2 Yb(2) O(7)# (12) O(2) Yb(2) O(3)# (11) O(11) Yb(2) O(7)# (11) O(9)#3 Yb(2) O(3)# (10) O(3W) Yb(2) O(7)# (11) O(7)#3 Yb(2) O(3)# (10) O(2) Yb(2) O(7)# (11) O(4)#4 Yb(2) O(3)# (11) Symmetry codes: a #1 x, y, 1 z; #2 x, y, 1 + z; #3 1 x, y, 1 z. b #1 2 x, 1 y, 1 z; #2 3 x, 1 y, z; #3 2 x, 1 y, z. c #11 x, 2 y, 1 z; #2 1 + x, y, z; #3 1 x, 1 y, 1 z; #4 x, 2 y, 1 z. d #11 x, 2 y, 1 z; #2 2 x, 1 y, 1 z; #3 1 + x, y, z; #4 2 x, 2 y, 1 z. e #1 1 x, 1 y, 1 z; #2 2 x, y, 1 z; #3 1 + x, y, z; #4 2 x, 1 y, 1 z. f #1 1 x, 1 y, 1 z; #2 x, 2 y, 1 z; #3 1 + x, y, z; #4 x, 1 y, 1 z. g #1 1 x, 2 y, 2 z; #2 2 x, 1 y, 2 z; #3 1 + x, y, z; #4 2 x, 2 y, 2 z. h #1 1 + x, y, z; #2 1 x, 1 y, 1 z; #3 2 x, 1 y, 1 z; #4 3 x, y, 1 z. i #1 1 x, 1 y, 1 z; #2 x, 2 y, 1 z; #3 1 + x, 1 + y, z; #4 1 + x, y, z; #5 2 x, 1 y, 1 z; #6 1 + x, y, z. j #1 1 + x, y, z; #2 2 x, y, z; #3 1 x, y, z; #4 1 + x, y, z. k #1 2 x, 1 y, 1 z; #2 3 x, 1 y, 1 z; #3 1 + x, y, z; #4 2 x, 2 y, 1 z. 15
16 Table S2: Geometrical parameters of hydrogen bonds in compound 1 (in Å and deg). D H A d(d H) d(h A) d(d A) <DHA Symmetry operation for A O(1W) H(1WA) O(4) x, y, 1 z O(1W) H(1WB) O(4W) x, 1 + y, z O(2W) H(2WA) O(3W) x, 1 y, 1 z O(2W) H(2WB) O(7) x, y, z O(3W) H(3WA) O(5) x, 1 y, z O(3W) H(3WB) O(4) x, 1 + y, z O(4W) H(4WA) O(5W) x, 1 y, 1 z O(4W) H(4WB) O(3W) x, y, 1 + z O(5W) H(5WB) O(2W) x, 1 y, 1 z Fig. S1 Hydrogen-bonding tape in 1 with two 16-membered water rings arranged alternately which was self-assembled from L 2, water, and OX 2. Symmetry codes: #3 1 x, y, 1 z; #4 1 x, 1 y, 1 z; #5 1 x, 1 y, z; #6 1 x, y, z; #7 x, 1 + y, z; #8 x, 1 + y, 1 + z; #9 x, y, 1 + z; # x, y, z; #11 2 x, 1 y, 1 z;#12 2 x, 1 y, z. 16
17 Fig. S2 Views of hydrogen-bond interactions in 3. Fig. S3 Local coordination environment of 6 with 30% thermal ellipsoids. Fig. S4 Local coordination environment of 8 with 30% thermal ellipsoids. 17
18 Fig. S5 Thermogravimetric curve of the compounds 1, 3, 6, and 8. Fig. S6 Thermogravimetric curve of the compounds 2, 4, 5, 7 and Fig. S7 The simulated and experimental XRPD patterns for
19 Fig. S8 The simulated and experimental XRPD patterns for
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