Information card for entry 8107397

Structure parameters

• Formula: C14 H16 Co N6 O8
• Calculated formula: C14 H16 Co N6 O8
• Title of publication: The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2 N,O)-cobalt(II) dihydrate, C14H16N6O8Co
• Authors of publication: Hong, Dong-Feng; Guo, Ao; Kou, Xian-Ke
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 211 - 213
• a: 6.352 ± 0.0006 Å
• b: 11.7438 ± 0.0008 Å
• c: 11.788 ± 0.0009 Å
• α: 90°
• β: 96.562 ± 0.009°
• γ: 90°
• Cell volume: 873.58 ± 0.12 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No