Information card for entry 8102420

Structure parameters

• Formula: C72 H52 Co4 N12 O28 S4
• Calculated formula: C72 H52 Co4 N12 O28 S4
• Title of publication: Crystal structure of diaqua-bis[(5-nitroisophthalato)-(4,4'-dipyridylsulfide)cobalt(II)], Co2(H2O)2(C8H3NO6)2(C10H8N2S)2
• Authors of publication: Shuai Yuan; Wen-Ying Zhang; Kun-Xian Shu; Yi-Long Liang; Guang-Fan Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 2
• Pages of publication: 203
• a: 14.1203 ± 0.0015 Å
• b: 8.4612 ± 0.0009 Å
• c: 20.5495 ± 0.0016 Å
• α: 90°
• β: 129.47 ± 0.005°
• γ: 90°
• Cell volume: 1895.3 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No