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1 Supporting Information Co II 4, Co II 7 and a Series of Co II 2Ln III (Ln III = Nd III, Sm III, Gd III, Tb III, Dy III ) Coordination Clusters: Search for Single Molecule Magnets Ritwik Modak, Yeasin Sikdar, Annaliese E Thuijs, George Christou, * and Sanchita Goswami *, Department of Chemistry, University of Calcutta, 92, A. P. C. Road, Kolkata , India Department of Chemistry, University of Florida, Gainesville, Florida , United States * sgchem@caluniv.ac.in (S.G.) * christou@chem.ufl.edu (G.C.) Contents of the Supporting Information 1. Characterization, Structure and Crystallographic Data of 1 7. Figure S1. FT-IR spectrum of ligand H 2 vab and Figure S2. EDX spectrum of 5. 4 Figure S3. Simulated and as-synthesized powder X- ray diffraction (PXRD) patterns of 2 and 6. 4 Figure S4. HR-ESI-MS spectrum of 1. 5 Figure S5. HR-ESI-MS spectrum of 7. 5 Figure S6. HR-ESI-MS spectrum of 5. 6 Figure S7. Interconnected tetrahedron originated central motif of 1. 7 Figure S8. Coordination polyhedra around metal centers in 1, 5 and 7. 7 Figure S9. General perspective showing the Ø, S and h, structural features in the octahedral coordination 8 of the central Co III ion. Figure S10. Intra-molecular H-bonding interaction in 1. 8 Figure S11. Left: Molecular representation of 1 crystal packing. View along crystallographic c axis. 9 Right: C H π interactions between the closest neighbouring clusters in the crystal packing. Figure S12. Molecular Structure of 2. 9 Figure S13. Molecular Structure of Figure S14. Molecular Structure of Figure S15. Molecular Structure of Figure S16. Diagram of the dihedral angle between the CoTbO2 mean square plane in Figure S17. Top: Molecular representation of 5 crystal packing. View along crystallographic a axis. 12 Bottom: C H π interactions between the closest neighboring clusters in the crystal packing. Figure S18. Symmetric central core of six distorted missing-corner cubanes sharing the neighboring 13 faces of one another in 7. Figure S19. 2D supramolecular assembly in Figure S20. Molecular representation of 7 crystal packing view along crystallographic a axis of the unit cell. 14 Table S1. Data Collection and Structure Refinement parameters for Table S2a. Results of Continuous Shape Measurement Analysis for the Co(II) Coordination Spheres for Table S2b. Results of Continuous Shape Measurement Analysis for the Ln(III) Coordination Spheres for Supporting Information Page 1 Pages

2 Table S3. Ø (deg), s (Å), λ and θ (deg) Values for Co1 Center in 1 and Table S4. Bond Valence Sum Calculations for Determination of Co Oxidation State in 1, 5 and 7 a. 18 Table S5. Bond Valence Sum (BVS) Calculations for Assigning the Protonation Level on 19 Coordinated Oxygen Atoms in 1, 5 and 7. Table S6. Intra-cluster Hydrogen Bond Parameters for 1, 5 and Table S7. Geometrical Parameters (Distances/Å and Angles/deg) for Table S8. Geometrical Parameters (Distances/Å and Angles/deg) for Table S9. Geometrical Parameters (Distances/Å and Angles/deg) for Table S 10. Geometrical Parameters (Distances/Å and Angles/deg) for Magnetic Measurements. Figure S21. Plot of χ M T signal for dried, microcrystalline complex 1 at the indicated frequencies. 24 Figure S22. Plot of χ M T signal for dried, microcrystalline complex 2 at the indicated frequency. 24 Figure S23. Plot of χ M signal for dried, microcrystalline complex 2 at the indicated frequency. 25 Figure S24. Plot of χ M T signal for dried, microcrystalline complex 3 at the indicated frequencies. 25 Figure S25. Plot of χ M T signal for dried, microcrystalline complex 4 at the indicated frequencies. 26 Figure S26. Plot of χ M T signal for dried, microcrystalline complex 5 at the indicated frequencies. 26 Figure S27. Plot of χ M signal for dried, microcrystalline complex 5 at the indicated frequencies. 27 Figure S28. Plot of χ M T signal for dried, microcrystalline complex 6 at the indicated frequencies. 27 Figure S29. Plot of χ M signal for dried, microcrystalline complex 6 at the indicated frequencies Characterization, Structure and Crystallographic Data of 1 7. Supporting Information Page 2

3 FT-IR spectroscopy:fourier transform infrared (FTIR) spectra were recorded with a Perkin Elmer RXI FTIR spectrophotometer using the reflectance technique ( cm 1 ). Samples were prepared as KBr disks. Figure S1. FT-IR spectrum of H 2 vab and 1 7. Supporting Information Page 3

$7600F). Figure S2. EDX spectrum of 5. Powder X-ray diffraction: (PXRD) patterns were recorded on a PANalytical, XPERT-PRO diffractometer (40 kv, 30 ma) with Cu Kα radiation and nickel filter.$

4 Energy-dispersive X-ray (EDX) analysis : The crystalline bulk material of 5 was placed on 300 mesh copper grid and subject to analysis on field emission scanning electron microscope (FESEM-JEOL JSM 7600F). Figure S2. EDX spectrum of 5. Powder X-ray diffraction: (PXRD) patterns were recorded on a PANalytical, XPERT-PRO diffractometer (40 kv, 30 ma) with Cu Kα radiation and nickel filter. The simulated patterns were calculated from the single crystal structural data (cif file) using the CCDC Mercury 3.1 software. Figure S3. Simulated and as-synthesized powder X- ray diffraction (PXRD) patterns of 2 and 6. Supporting Information Page 4

Acetonitrile (for 1) and MeOH (for 5 and 7). Figure S4.

5 Electrospray mass spectra: (HR-ESI-MS) were recorded on Waters Xevo G2 SQTmass spectrometer dissolving the samples in LC-MS quality Acetonitrile (for 1) and MeOH (for 5 and 7). Figure S4. HR-ESI-MS spectrum of 1. Figure S5. HR-ESI-MS spectrum of 7. Supporting Information Page 5

6 Figure S6. HR-ESI-MS spectrum of 5. Supporting Information Page 6

crystallographic 4 axis passes through the middle of Co1 Co1a and Co1b Co1c vectors). Figure S8. (a) Distorted octahedral geometry around Co1 center of 1.

7 Figure S7. Interconnected tetrahedron originated central motif of 1 with Co II and oxygen atoms occupying alternate vertices of the cube with local S 4 symmetry (a crystallographic 4 axis passes through the middle of Co1 Co1a and Co1b Co1c vectors). Figure S8. (a) Distorted octahedral geometry around Co1 center of 1. Symmetry transformations used to generate equivalent atoms: a = 5/4 y, 1/4+x, 5/4 z; (b) A view showing the arrangement and edge-sharing of distorted polyhedra in the cluster of 5; (c) Distorted octahedral geometry around central Co1 center in 7. Symmetry transformations used to generate equivalent atoms: a = 1 x, 1 y, 1 z. Supporting Information Page 7

Ø= azimuthal/twist angle (60 for ideal Octahedral) [azimuthal contraction< 60 > azimuthal expansion] s = average length of the sides of the trigonal faces of the polygon h = distance between the

8 Ø= azimuthal/twist angle (60 for ideal Octahedral) [azimuthal contraction< 60 > azimuthal expansion] s = average length of the sides of the trigonal faces of the polygon h = distance between the trigonal faces λ = polar ratio (s/ h= 1.22 for ideal Octahedron) [ polar compression< 1.22 > polar elongation] θ = dihedral angle between two mean plane of trigonal faces. Figure S9. General perspective showing the Ø, S andh, structural features in the octahedral coordination of the central Co III ion. Consequences of Intra-molecular H-bonding in 1: Four of the six faces (four side faces, SF) of the {Co 4 O 4 } cube are snapped by hydrogen bonds, resulting in somewhat different bond lengths and angles for the involved atoms compared to those at the two remaining faces at opposite sides of the cube (OF). Four side faces of the cube have shorter Co Co distances of 3.120(10) Å with a shorter av. Co O Co angle of 95.53(13) and an av. Co O O Co torsional angle of (17). The remaining two faces of the cube have a slightly longer Co Co separation of (11) Å with a larger av. Co O Co angle of (14) and an av. Co O O Co torsional angle of (14). Figure S10. Intra-molecular H-bonding interaction in 1. Supporting Information Page 8

9 Figure S11. Left: Molecular representation of 1 crystal packing. View along crystallographic c axis. Right: C H π interactions between the closest neighbouring clusters in the crystal packing with methoxy carbon(c7) phenyl π plane perpendicular distances ~3.403 Å. [The criteria for detecting C H π interactions: the H π plane perpendicular distance is less than 3.05 Å (the sum of the Van der Waals distances = {1.2 Å for H Å for C} 1.05 ) or the C π plane perpendicular distance less than 4.13 Å {3.05 Å Å for the C H bond distance (CSD default)}] Figure S12. Molecular structure of 2 (all the hydrogen atoms except those present in coordinated benzylic oxygen atoms, counter anions and the solvent molecules of crystallization were omitted for clarity). Supporting Information Page 9

counter anions and the solvent molecules of crystallization were omitted for clarity). Figure S14.

10 Figure S13. Molecular structure of 3 (all the hydrogen atoms except those present in coordinated benzylic oxygen atoms, counter anions and the solvent molecules of crystallization were omitted for clarity). Figure S14. Molecular structure of 4 (all the hydrogen atoms except those present in coordinated benzylic oxygen atoms, counter anions and the solvent molecules of crystallization were omitted for clarity). Supporting Information Page 10

coordinated benzylic oxygen atoms, counter anions and the solvent molecules of

11 Figure S15. Molecular structure of 6 (all the hydrogen atoms except those present in coordinated benzylic oxygen atoms, counter anions and the solvent molecules of crystallization were omitted for clarity). Figure S16. Diagram of the dihedral angle between the CoTbO2 mean square plane in 5. Supporting Information Page 11

Bottom: C H π interactions between the closest neighboring clusters in the crystal packing

12 Figure S17. Top: Molecular representation of 5 crystal packing. View along crystallographic a axis. Bottom: C H π interactions between the closest neighboring clusters in the crystal packing with carbon (C50g) phenyl π plane perpendicular distances ~3.405 Å. Symmetry transformations used to generate equivalent atoms: g = 1 x, 1 y, 1 z. Supporting Information Page 12

[Co2, Co3, Co4 and their centrosymmetric equivalents, deviation from the average plane ±0.400 Å, ±0.402 Å, ±0.

13 Figure S18. Symmetric central core of six distorted missing-corner cubanes sharing the neighboring faces of one another in 7. [Co2, Co3, Co4 and their centrosymmetric equivalents, deviation from the average plane ±0.400 Å, ±0.402 Å, ±0.399 Å respectively from the mean Co6 plane and Co1 lies on the inversion center.] Figure S19. 2D supramolecular assembly view along crystallographic a axis. Guest NO 3 anions are space-fill represented in 7. Supporting Information Page 13

14 Figure S20. Molecular representation of 7 crystal packing view along crystallographic a axis of the unit cell. Supporting Information Page 14

15 Table S1. Data Collection and Structure Refinement parameters for Formula C 76 H 100 Co 4 N 4 O 24 C 61 H 56 Co 2 N 7 NdO 23 C 61 H 56 Co 2 N 7 SmO 23 C 61 H 56 Co 2 N 7 GdO 23 Molecular weight Temperature (K) 296(2) 296(2) 296(2) 296(2) Crystal system tetragonal triclinic triclinic triclinic Space group I4 1 /a P 1 P 1 P 1 a (Å) (3) (7) (7) (5) b (Å) (3) (7) (7) (5) c (Å) (2) (12) (12) (8) α ( ) (7) (6) (4) β ( ) (9) (6) (4) γ ( ) (6) (6) (4) V (Å 3 ) 8980(2) 3294(3) 3228(3) 3302(2) Z ρ c (g cm 3 ) µ (mm 1 ) F(000) Crystal size (mm 3 ) θ ( ) Limiting indices 31 h h h h k k k k l l l l 26 No. of reflections collected No. of independent refl. (R int ) 5163(0.0870) 10462(0.0550) 10279(0.0522) 10895(0.0626) Completeness to θ /% No. of data/restraints/params 5237/4/ /0/ /0/ /2/859 Goodness of fit (GOF) on F Final R indices (I > 2 θ (I)) R a a a a wr b b R indices (all data) R a a a a wr b b b b Largest difference in peak, hole (e Å 3 ) 0.791, , , , a R 1 = Σ( F o F c )/Σ F o. b wr 2 = {Σ[w( F o 2 F c 2 ) 2 ]/Σ[w( F o 2 ) 2 ]} 1/ Formula C 61 H 56 Co 2 N 7 TbO 23 C 61 H 56 Co 2 N 7 DyO 23 C 90 H 82 Co 7 N 8 O 26 Molecular weight Temperature (K) 296(2) 296(2) 296(2) Crystal system triclinic triclinic monoclinic Space group P 1 P 1 P2 1 /c a (Å) (15) (6) (4) b (Å) (15) (6) (5) c (Å) (3) (10) (9) α ( ) (3) (7) β ( ) (3) (6) (4) γ ( ) (3) (5) V (Å 3 ) (7) 3268(3) 4443(3) Z ρ c (g cm 3 ) µ (mm 1 ) F(000) Crystal size (mm 3 ) θ ( ) Limiting indices 14 h h h k k k l l l 29 Supporting Information Page 15

16 No. of reflections collected No. of independent refl. (R int ) 10753(0.0542) 8128(0.0482) 7630(0.0618) Completeness to θ /% No. of data/restraints/params 10933/2/ /3/ /2/604 Goodness of fit (GOF) on F Final R indices (I > 2 θ (I)) R a a a wr b b b R indices (all data) R a a a wr b b Largest difference in peak, hole (e Å 3 ) 1.366, , b 0.985, a R 1 = Σ( F o F c )/Σ F o. b wr 2 = {Σ[w( F o 2 F c 2 ) 2 ]/Σ[w( F o 2 ) 2 ]} 1/2 Shape analysis : Continuous Shape Measurement (CShM) a of Co II and Ln III coordination sphere using SHAPE v2.1. Table S2a. Results of Continuous Shape Measurement Analysis for the Co(II) Coordination Spheres a S H A P E v2.1 Continuous Shape Measures calculation (c) 2013 Electronic Structure Group, Universitat de Barcelona Contact: llunell@ub.edu CoL6 structures HP-6 PPY-6 OC-6 TPR-6 JPPY-6 1 D6h Hexagon 2 C5v Pentagonal pyramid 3 Oh Octahedron 4 D3h Trigonal prism 5 C5v Johnson pentagonal pyramid J2 Structure [ML6 ] HP-6 PPY-6 OC-6 TPR-6 JPPY-6 COMPOUND 1 (Co1), COMPOUND 2 (Co1), COMPOUND 2 (Co2), COMPOUND 3 (Co1), COMPOUND 3 (Co2), COMPOUND 4 (Co1), COMPOUND 4 (Co2), COMPOUND 5 (Co1), COMPOUND 5 (Co2), COMPOUND 6 (Co1), COMPOUND 6 (Co2), COMPOUND 7 (Co1), COMPOUND 7 (Co2), COMPOUND 7 (Co3), COMPOUND 7 (Co4), a CShM values between 0.1 and 3 usually correspond to a not negligible but still small distortion from ideal geometry. Supporting Information Page 16

17 Table S2b. Results of Continuous Shape Measurement Analysis for the Ln(III) coordination spheres a S H A P E v2.1 Continuous Shape Measures calculation (c) 2013 Electronic Structure Group, Universitat de Barcelona Contact: llunell@ub.edu LnL10 structures DP-10 1 D10h Decagon EPY-10 2 C9v Enneagonal pyramid OBPY-10 3 D8h Octagonal bipyramid PPR-10 4 D5h Pentagonal prism PAPR-10 5 D5d Pentagonal antiprism JBCCU-10 6 D4h Bicapped cube J15 JBCSAPR-10 7 D4d Bicapped square antiprism J17 JMBIC-10 8 C2v Metabidiminished icosahedron J62 JATDI-10 9 C3v Augmented tridiminished icosahedron J64 JSPC C2v Sphenocorona J87 SDD D2 Staggered Dodecahedron (2:6:2) TD C2v Tetradecahedron (2:6:2) HD D4h Hexadecahedron (2:6:2) or (1:4:4:1) Structure[ML10] COMPOUND2_Nd COMPOUND3_Sm COMPOUND4_Gd COMPOUND5_Tb COMPOUND6_Dy DP-10 EPY-10 OBPY-10 PPR-10 PAPR-10 JBCCU-10 JBCSAPR-10 JMBIC-10 JATDI-10 JSPC-10 SDD-10 TD-10 HD a CShM values between 0.1 and 3 usually correspond to a not negligible but still small distortion from ideal geometry. Supporting Information Page 17

18 Table S3. Ø (deg), s (Å), λ and θ (deg) Values for Co1 Center in 1 and 7. Average Average intra-inter-planar Polar ratio Dihedral angle Complex Azimuthal planar distance (h) (λ = s/ h) between two angle a (Ø) distance (s) (Å) (Å) mean plane (θ) 1 (Co1) (polar elongation) 7 (Co1) (polar elongation) a The azimuthal angles were calculated using the program Mercury by defining the centroids of the appropriate ligating oxygen and nitrogen atoms and then measuring the angle about the Co II. Table S4. Bond Valence Sum Calculations for Determination of Co Oxidation State in 1, 5 and 7 a. Complex Atom R 0 (Co II ) R 0 (Co III ) 1 Co1/1a/1b/1c Co Co Co Co2/2a Co3/3a Co4/4a a The underlined value is the closest to the charge for which it was calculated. Supporting Information Page 18

19 Table S5. Bond Valence Sum (BVS) Calculations for Assigning the Protonation Level on Coordinated Oxygen Atoms in 1, 5 and 7. Complex Atom BVS Assignment a 1 O(1) O(3) O(4) RO RO H 2 O 5 O(1) O(2) O(3) RO ROR ROH O(4) O(5) O(6) RO ROR ROH O(7) O(8) O(9) RO ROR ROH O(10) O(11) O(12) RO ROR ROH 7 O(1) O(2) O(3) RO ROR RO O(4) O(5) O(6) RO ROR RO O(7) O(8) O(9) RO ROR RO a Calculated oxygen BVS values for non, singly and doubly protonated O atoms are typically in the ~ , and ~ ranges, respectively, but can be affected by H-bonding, uncertainties in the bond distances due to disorder, etc. Table S6. Intra-cluster Hydrogen Bond Parameters for 1, 5 and 7. Complex D--H A d(d--h) d(h A) d(d A) <(DHA) Symmetry of a/b/c/d/e 1 O4--H50 O1a 0.67(8) 2.07(7) 2.701(7) 160(8) 5/4 y, 1/4+x, 5/4 z O4a--H50a O1b 0.67(8) 2.07(7) 2.701(7) 160(8) 1 x, 3/2 y, z O4b--H50b O1c 0.67(8) 2.07(7) 2.701(7) 160(8) 1/4+y, 5/4 x, 5/4 z O4c--H50c O1 0.67(8) 2.07(7) 2.701(7) 160(8) 5 O6--H6A O (7) 1.64(8) 2.655(7) 151(7) O9--H66 O (7) 1.84(7) 2.669(8) 166(6) O3--H64 O21d 0.82(7) 2.23(7) 2.913(17) 141(6) x, 1+y, z O12--H67 O (7) 2.12(8) 2.780(10) 148(9) 7 C6--H6 O (19) C23--H23 O12e (2) x, 1/2+y, 1/2 z Supporting Information Page 19

20 Table S7. Selected Geometrical Parameters (Distances/Å and Angles/deg) for 2 a. Co1 O (7) Nd1 O (7) Co2 O (7) Co1 O (7) Nd1 O (7) Co2 O (7) Co1 O (7) Nd1 O (7) Co2 O (7) Co1 O (8) Nd1 O (7) Co2 O (7) Co1 N (8) Nd1 O (7) Co2 N (9) Co1 N (7) Nd1 O (7) Co2 N (9) Nd1 O (6) Nd1 O (7) Nd1 O (8) Nd1 O (7) Co1 Nd Co1 Co Co2 Nd Co1 O1 Nd (3) Co1 Nd1 Co Co2 O7 Nd (3) Co1 O4 Nd (3) Co2 O10 Nd (3) Co1 O 2 Nd1(α) Co2 O 2 Nd1(β) Co1Nd1O 2 Co2 Nd1O 2 (γ) a Dihedral angle, α = angle between Co1O1Nd1 and Co1O4Nd1 planes; β = angle between Co1O7Nd1 and Co2O10Nd1 planes; γ = dihedral angle between two CoNdO 2 square planes. Supporting Information Page 20

21 Table S8. Selected Geometrical Parameters (Distances/Å and Angles/deg) for 3 a. Co1 O (5) Sm1 O (6) Co2 O (5) Co1 O (7) Sm1 O (5) Co2 O (6) Co1 O (6) Sm1 O (5) Co2 O (5) Co1 O (6) Sm1 O (6) Co2 O (7) Co1 N (7) Sm1 O (5) Co2 N (7) Co1 N (7) Sm1 O (5) Co2 N (8) Sm1 O (5) Sm1 O (5) Sm1 O (7) Sm1 O (6) Co1 Sm Co1 Co Co2 Sm Co1 O1 Sm (19) Co1 Sm1 Co Co2 O7 Sm (2) Co1 O4 Sm (2) Co2 O10 Sm (19) Co1 O 2 Sm1(α) Co2 O 2 Sm1(β) Co1Sm1O 2 Co2 Sm1O 2 (γ) a Dihedral angle, α = angle between Co1O1Sm1 and Co1O4Sm1 planes; β = angle between Co1O7Sm1 and Co2O10Sm1 planes; γ = dihedral angle between two CoSmO 2 square planes. Supporting Information Page 21

22 Table S9. Selected Geometrical Parameters (Distances/Å and Angles/deg) for 4 a. Co1 O (7) Gd1 O (7) Co2 O (7) Co1 O (7) Gd1 O (7) Co2 O (8) Co1 O (7) Gd1 O (7) Co2 O (7) Co1 O (7) Gd1 O (7) Co2 O (9) Co1 N (9) Gd1 O (7) Co2 N (9) Co1 N (9) Gd1 O (7) Co2 N (10) Gd1 O (6) Gd1 O (7) Gd1 O (8) Gd1 O (7) Co1 Gd Co1 Co Co2 Gd Co1 O1 Gd (3) Co1 Gd1 Co Co2 O7 Gd (3) Co1 O4 Gd (2) Co2 O10 Gd (3) Co1 O 2 Gd1(α) Co2 O 2 Gd1(β) Co1Gd1O 2 Co2 Gd1O 2 (γ) a Dihedral angle, α = angle between Co1O1Gd1 and Co1O4Gd1 planes; β = angle between Co1O7Gd1 and Co2O10Gd1 planes; γ = dihedral angle between two CoGdO 2 square planes. Supporting Information Page 22

23 Table S10. Selected Geometrical Parameters (Distances/Å and Angles/deg) for 6 a. Co1 O (9) Dy1 O (8) Co2 O (8) Co1 O (9) Dy1 O (7) Co2 O (9) Co1 O (9) Dy1 O (8) Co2 O (8) Co1 O (9) Dy1 O (9) Co2 O (9) Co1 N (11) Dy1 O (9) Co2 N (11) Co1 N (11) Dy1 O (8) Co2 N (12) Dy1 O (8) Dy1 O (9) Dy O (10) Dy O (8) Co1 Dy Co1 Co Co2 Dy Co1 O1 Dy (4) Co1 Dy1 Co2 171 Co2 O7 Dy (3) Co1 O4 Dy (3) Co2 O10 Dy (3) Co1 O 2 Dy1(α) Co2 O 2 Dy1(β) Co1Dy1O 2 Co2 Dy1O 2 (γ) a Dihedral angle, α = angle between Co1O1Dy1 and Co1O4Dy1 planes; β = angle between Co1O7Dy1 and Co2O10Dy1 planes; γ = dihedral angle between two CoDyO 2 square planes. Supporting Information Page 23

24 2. Magnetic Measurements Figure S21. Plot of χ M T signal for dried, microcrystalline complex 1 at the indicated frequencies. Figure S22. Plot of χ M T signal for dried, microcrystalline complex 2 at the indicated frequency. Supporting Information Page 24

25 2. Magnetic Measurements Figure S23. Plot of χ M signal for dried, microcrystalline complex 2 at the indicated frequency. Figure S24. Plot of χ M T signal for dried, microcrystalline complex 3 at the indicated frequencies. Supporting Information Page 25

26 2. Magnetic Measurements Figure S25. Plot of χ M T signal for dried, microcrystalline complex 4 at the indicated frequencies. Figure S26. Plot of χ M T signal for dried, microcrystalline complex 5 at the indicated frequencies. Supporting Information Page 26

27 2. Magnetic Measurements Figure S27. Plot of χ M signal for dried, microcrystalline complex 5 at the indicated frequencies. Figure S28. Plot of χ M T signal for dried, microcrystalline complex 6 at the indicated frequencies. Supporting Information Page 27

28 2. Magnetic Measurements Figure S29. Plot of χ M signal for dried, microcrystalline complex 6 at the indicated frequencies. Supporting Information Page 28

Heterometallic M II Ln III (M = Co / Zn; Ln = Dy / Y) complexes with pentagonal bipyramidal 3d centres: syntheses, structures, and magnetic properties

Supporting Information for Heterometallic M II Ln III (M = Co / Zn; Ln = Dy / Y) complexes with pentagonal bipyramidal 3d centres: syntheses, structures, and magnetic properties Fu-Xing Shen, Hong-Qing