Information card for entry 2220111

Structure parameters

• Chemical name: Diaqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(4- hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) nitrate dihydrate
• Formula: C21 H25 Co N3 O10
• Calculated formula: C21 H25 Co N3 O10
• SMILES: [Co]12([n]3c(ccc4ccc5ccc([n]2c5c34)C)C)([O]=C(O1)c1ccc(O)cc1)([OH2])[OH2].O=N(=O)[O-].O.O
• Title of publication: Diaqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) nitrate dihydrate
• Authors of publication: Zhai, Cuiping; Yan, Fengmei; Zhao, Peizheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1591 - m1592
• a: 9.8001 ± 0.0008 Å
• b: 22.2638 ± 0.0019 Å
• c: 10.8676 ± 0.0009 Å
• α: 90°
• β: 94.602 ± 0.001°
• γ: 90°
• Cell volume: 2363.5 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes