Information card for entry 2220546

Structure parameters

• Chemical name: Bis(2,2'-bipyridine-κ^2^N,N')(3,5-dinitro-2-oxidobenzoato- κ^2^O^1^,O^2^)cobalt(II)
• Formula: C27 H18 Co N6 O7
• Calculated formula: C27 H18 Co N6 O7
• SMILES: [Co]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)OC(=O)c1c(O3)c(N(=O)=O)cc(N(=O)=O)c1
• Title of publication: Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(3,5-dinitro-2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobalt(II)
• Authors of publication: Zhong, Chun-Long; Jiang, Xiu-Rong; Wen, De-Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m79
• a: 8.103 ± 0.003 Å
• b: 21.767 ± 0.007 Å
• c: 14.335 ± 0.004 Å
• α: 90°
• β: 95.804 ± 0.013°
• γ: 90°
• Cell volume: 2515.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0776
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes