Information card for entry 2228673

Structure parameters

• Chemical name: Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) 3.5-hydrate
• Formula: C16 H29 Co N4 O13.5
• Calculated formula: C16 H29 Co N4 O13.5
• Title of publication: Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) 3.5-hydrate
• Authors of publication: Li, Shi-Jie; Miao, Dong-Liang; Song, Wen-Dong; Tong, Shao-Wei; An, Jing-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m106 - m107
• a: 10.405 ± 0.001 Å
• b: 10.6131 ± 0.0011 Å
• c: 11.2529 ± 0.0013 Å
• α: 82.371 ± 0.001°
• β: 83.743 ± 0.001°
• γ: 87.33 ± 0.002°
• Cell volume: 1223.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0959
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes