Information card for entry 2204232

Structure parameters

• Chemical name: Aqua(benzene-1,4-dioxyacetate)bis(2,2-bipyridine)cobalt(II) tetrahydrate
• Formula: C30 H34 Co N4 O11
• Calculated formula: C30 H34 Co N4 O11
• SMILES: [Co]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)(OC(=O)COc1ccc(OCC(=O)[O-])cc1)[OH2].O.O.O.O
• Title of publication: Aqua(benzene-1,4-dioxyacetate)bis(2,2-bipyridine)cobalt(II) tetrahydrate
• Authors of publication: Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1202 - m1204
• a: 15.639 ± 0.003 Å
• b: 10.152 ± 0.002 Å
• c: 19.996 ± 0.004 Å
• α: 90°
• β: 92.23 ± 0.03°
• γ: 90°
• Cell volume: 3172.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.097
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes