Information card for entry 4348589

Structure parameters

• Formula: C76 H100 Co4 N4 O24
• Calculated formula: C76 H100 Co4 N4 O24
• SMILES: c12c(c(ccc1)OC)O[Co]134([N](=C2)c2c(cccc2)C[O]24[Co]456(Oc7c(cccc7OC)C=[N]4c4c(cccc4)C[O]36[Co]346(Oc7c(cccc7OC)C=[N]6c6c(C[O]13[Co]132(Oc2c(cccc2OC)C=[N]3c2c(C[O]541)cccc2)[OH2])cccc6)[OH2])[OH2])[OH2].O1CCCC1.O.O1CCCC1.O.O1CCCC1.O1CCCC1.O.O
• Title of publication: Co^II₄, Co^II₇, and a Series of Co^II₂Ln^III (Ln^III = Nd^III, Sm^III, Gd^III, Tb^III, Dy^III) Coordination Clusters: Search for Single Molecule Magnets.
• Authors of publication: Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10192 - 10202
• a: 24.268 ± 0.003 Å
• b: 24.268 ± 0.003 Å
• c: 15.248 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8980 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2482
• Weighted residual factors for all reflections included in the refinement: 0.2894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No