Information card for entry 7102528

Structure parameters

• Formula: C60 H60 Co4 N16 Na2 O28
• Calculated formula: C60 H36 Co4 N16 Na2 O28.0004
• SMILES: [Na+].c1n2c(c3C4=O)C(=O)O[Co]562([n]2cn7c(c2C(=O)O6)C(=O)O[Co]267([n]7cn8[Co]9%10([n]%11cn%12[Co]%13([n]13)([n]1ccccc1c1[n]%13cccc1)(O4)OC(=O)c%12c%11C(=O)O%10)([n]1ccccc1c1[n]9cccc1)OC(=O)c8c7C(=O)O6)[n]1ccccc1c1cccc[n]21)[n]1ccccc1c1[n]5cccc1.O.O.O.O.O.O.O.O.O.O.[Na+].O.O
• Title of publication: A novel mixed-valence complex containing Co(II)(2)Co(III)(2) molecular squares with 4,5-imidazoledicarboxylate bridges.
• Authors of publication: Wang, Chuan-Feng; Gao, En-Qing; He, Zheng; Yan, Chun-Hua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 720 - 721
• a: 15.1152 ± 0.0003 Å
• b: 25.5074 ± 0.0005 Å
• c: 18.7706 ± 0.0004 Å
• α: 90°
• β: 95.3476 ± 0.001°
• γ: 90°
• Cell volume: 7205.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No