Information card for entry 2207288

Structure parameters

• Chemical name: Bis(3,5-dicarboxybenzoato-κ^2^O,O')(1,10-phenanthroline)cobalt(II)
• Formula: C30 H18 Co N2 O12
• Calculated formula: C30 H18 Co N2 O12
• SMILES: c1(cc(cc(c1)C(=O)O)C(=O)O)C1=[O][Co]23([n]4c5c6c(ccc[n]26)ccc5ccc4)([O]=C(c2cc(cc(c2)C(=O)O)C(=O)O)O3)O1
• Title of publication: Bis(3,5-dicarboxybenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline)cobalt(II)
• Authors of publication: Han, Jin-Yu; Wei, Wen-Ying; Dou, Xiao; Chang, He-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2281 - m2282
• a: 9.912 ± 0.008 Å
• b: 15.954 ± 0.013 Å
• c: 16.685 ± 0.013 Å
• α: 90°
• β: 94.655 ± 0.011°
• γ: 90°
• Cell volume: 2630 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes