Information card for entry 8105367

Structure parameters

• Formula: C22 H25 Co N5 O8
• Calculated formula: C22 H25 Co N5 O8
• Title of publication: Crystal structure of poly[diaqua-(μ2-5-isopropoxyisophthalato-κ2 O:O′)-(μ2-(1,3-bis(3,5-di(1H-imidazol-1-yl)pyridine))-κ2 N:N′)cobalt(II)] monohydrate, C22H25N5O8Co
• Authors of publication: Zhao, Ying
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1023 - 1025
• a: 7.8425 ± 0.0003 Å
• b: 18.1807 ± 0.001 Å
• c: 17.0436 ± 0.0007 Å
• α: 90°
• β: 95.133 ± 0.003°
• γ: 90°
• Cell volume: 2420.37 ± 0.19 ų
• Cell temperature: 293.18 ± 0.1 K
• Ambient diffraction temperature: 293.18 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0807
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0417
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No