Information card for entry 8105036

Structure parameters

• Formula: C20 H22 Co N5 O10.5
• Calculated formula: C20 H22 Co N5 O10.5
• Title of publication: Crystal structure of catena-poly[triaqua-(1,3-di(1H-imidazol-1-yl)benzene-κ2N:N′)-(3-nitrophthalato-κ1O)cobalt(II)] — water (2/3), C20H22N5O10.5Co
• Authors of publication: Yin, Wei-Dong; Liu, Qian-Long; Li, Gui-Lian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 125 - 128
• a: 7.9667 ± 0.0003 Å
• b: 11.5847 ± 0.0004 Å
• c: 13.5305 ± 0.0005 Å
• α: 81.096 ± 0.003°
• β: 83.11 ± 0.003°
• γ: 69.997 ± 0.004°
• Cell volume: 1156.26 ± 0.08 ų
• Cell temperature: 292.73 ± 0.13 K
• Ambient diffraction temperature: 292.73 ± 0.13 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: 0.0523
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No