Information card for entry 2240008

Structure parameters

• Chemical name: Bis(5-chloro-9,10-anthraquinone-1-carboxylato-κ<i>O</i>)tetraaquacobalt(II) dihydrate
• Formula: C30 H24 Cl2 Co O14
• Calculated formula: C30 H24 Cl2 Co O14
• SMILES: c1(cccc2C(=O)c3c(cccc3C(=O)c12)Cl)C(=O)O[Co]([OH2])(OC(=O)c1cccc2C(=O)c3c(cccc3C(=O)c12)Cl)([OH2])([OH2])[OH2].O.O
• Title of publication: Crystal structure of bis(5-chloro-9,10-anthraquinone-1-carboxylato-κ<i>O</i>)tetraaquacobalt(II) dihydrate
• Authors of publication: Cai, Wen-Juan; Liu, Bo; Liu, Feng-Yi; Kou, Jun-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: m357 - m358
• a: 6.8655 ± 0.0014 Å
• b: 8.1623 ± 0.0016 Å
• c: 14.285 ± 0.003 Å
• α: 73.97 ± 0.03°
• β: 88.86 ± 0.03°
• γ: 73.35 ± 0.03°
• Cell volume: 735.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes