Information card for entry 2210805

Structure parameters

• Chemical name: Diaquabis(2,4-dichlorophenoxyacetato-κO)bis(1H-imidazole-κN^3^)cobalt(II)
• Formula: C22 H22 Cl4 Co N4 O8
• Calculated formula: C22 H22 Cl4 Co N4 O8
• SMILES: C(=O)(COc1c(cc(cc1)Cl)Cl)O[Co]([OH2])([n]1c[nH]cc1)([n]1cc[nH]c1)(OC(=O)COc1c(cc(cc1)Cl)Cl)[OH2]
• Title of publication: Diaquabis(2,4-dichlorophenoxyacetato-κ<i>O</i>)bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II)
• Authors of publication: Song, Wen-Dong; Gu, Chang-Sheng; Hao, Xiao-Min; Ma, De-Yun; Liu, Zhong-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2618 - m2620
• a: 14.137 ± 0.003 Å
• b: 12.72 ± 0.003 Å
• c: 7.5265 ± 0.0015 Å
• α: 90°
• β: 98.93 ± 0.03°
• γ: 90°
• Cell volume: 1337 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes