Information card for entry 8106377

Structure parameters

• Formula: C22 H23 Co N12 O8.5
• Calculated formula: C22 H23 Co N12 O8.5
• Title of publication: Crystal structure of catena-poly[diaqua-bis(μ2-3,5-di(1H-1,2,4-triazol-1-yl)benzoate-κ2 N:N′)cobalt(II))] 2.5 hydrate, C22H23CoN12O8.50
• Authors of publication: Lan, Hong-Hong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 6
• Pages of publication: 1003 - 1004
• a: 9.6549 ± 0.0003 Å
• b: 10.6027 ± 0.0004 Å
• c: 13.4938 ± 0.0004 Å
• α: 100.824 ± 0.003°
• β: 99.707 ± 0.003°
• γ: 96.642 ± 0.003°
• Cell volume: 1321.76 ± 0.08 ų
• Cell temperature: 288.03 ± 0.1 K
• Ambient diffraction temperature: 288.03 ± 0.1 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: 0.0427
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No