Information card for entry 2007951

Structure parameters

• Chemical name: Aquabis(2,3-butanedione dioximato)(cyclopentyl)cobalt(III)
• Formula: C13 H25 Co N4 O5
• Calculated formula: C13 H25 Co N4 O5
• SMILES: [Co]12([OH2])(N(O)C(=C(N1O)C)C)(N([O])C(=C(N2[O])C)C)C1CCCC1
• Title of publication: Aquabis(2,3-butanedione dioximato-<i>N</i>,<i>N</i>')(cyclopentyl)cobalt(III)
• Authors of publication: Chen, Ying; Chen, Hui-Lan; Duan, Chun-Ying; Liu, Yong-Jiang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1823 - 1825
• a: 9.215 ± 0.005 Å
• b: 9.607 ± 0.008 Å
• c: 10.575 ± 0.005 Å
• α: 113.24 ± 0.04°
• β: 91.76 ± 0.03°
• γ: 90.84 ± 0.05°
• Cell volume: 859.5 ± 1 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: 0.083
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.157
• Weighted residual factors for significantly intense reflections: 0.15
• Goodness-of-fit parameter for all reflections: 0.954
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No