Information card for entry 8105705

Structure parameters

• Formula: C27 H31 Co N3 O9
• Calculated formula: C27 H31 Co N3 O9
• SMILES: [Co]12(OC(=O)c3[n]1c(ccc3)c1ccccc1)(OC(=O)c1[n]2c(c2ccccc2)ccc1)([OH2])[OH2].O.O.O=CN(C)C
• Title of publication: The crystal structure of diaqua-bis(6-phenylpyridine-2-carboxylato-κ2 N,O)cobalt(II)–water–N,N-dimethylformamide(1/2/1), C27H31N3O9Co
• Authors of publication: Gao, Xiang; Tai, Xi-Shi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 393 - 395
• a: 10.923 ± 0.0006 Å
• b: 11.1166 ± 0.0008 Å
• c: 22.8312 ± 0.0015 Å
• α: 90°
• β: 93.404 ± 0.006°
• γ: 90°
• Cell volume: 2767.4 ± 0.3 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 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: 0.0437
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No