Information card for entry 4333407

Structure parameters

• Formula: C42.5 H38 Co Cr2 Mn2 N6 O31.5
• Calculated formula: C42.5 H22 Co Cr2 Mn2 N6 O31.5
• Title of publication: New Oxalate-Bridged CrIII−MnIIPolymeric Network Incorporating a Spin-Crossover [Co(terpy)2]2+Cation
• Authors of publication: Kou, Hui-Zhong; Sato, Osamu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9513 - 9515
• a: 14.693 ± 0.003 Å
• b: 17.947 ± 0.004 Å
• c: 20.005 ± 0.005 Å
• α: 90°
• β: 98.2571 ± 0.0013°
• γ: 90°
• Cell volume: 5221 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No