Information card for entry 8107168

Structure parameters

• Formula: C14 H12 Mn N6 O6
• Calculated formula: C14 H12 Mn N6 O6
• Title of publication: The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2 N,O)manganese(II), C14H12N6O6Mn
• Authors of publication: Hong, Dong-Feng; Li, Meng-Fei; Chu, Tian-Tian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 613 - 614
• a: 7.0839 ± 0.0003 Å
• b: 13.1211 ± 0.0004 Å
• c: 8.9854 ± 0.0003 Å
• α: 90°
• β: 112.359 ± 0.005°
• γ: 90°
• Cell volume: 772.39 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0296
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No