Information card for entry 4348591

Structure parameters

• Formula: C61 H56 Co2 N7 Nd O23
• Calculated formula: C61 H56 Co2 N7 Nd O23
• SMILES: [Nd]1234567([O]8[Co]9%10%11([O]1c1c(C=[N]%10c%10ccccc%10C[OH]%11)cccc1[O]3C)[N](=Cc1c8c([O]6C)ccc1)c1c(C[OH]9)cccc1)([O]1[Co]368([O]2c2c([O]4C)cccc2C=[N]3c2c(cccc2)C[OH]6)[N](=Cc2c1c([O]5C)ccc2)c1c(C[OH]8)cccc1)ON(=[O]7)=O.N(=O)(=O)[O-].N(=O)(=O)[O-].OC.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: 12.8 ± 0.007 Å
• b: 13.248 ± 0.007 Å
• c: 22.097 ± 0.012 Å
• α: 85.623 ± 0.007°
• β: 87.339 ± 0.009°
• γ: 61.838 ± 0.006°
• Cell volume: 3294 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No