Information card for entry 8107185

Structure parameters

• Formula: C27 H31 Mn N3 O9
• Calculated formula: C27 H31 Mn N3 O9
• Title of publication: The crystal structure of diaqua-bis(6-phenylpyridine-2-carboxylato-κ2N,O) manganese(II) — water — dimethylformamide (1/2/1), C27H31N3O9Mn
• Authors of publication: Wang, Li-Hua; Tai, Xi-Shi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 675 - 677
• a: 10.8917 ± 0.0009 Å
• b: 11.2673 ± 0.0016 Å
• c: 23.077 ± 0.003 Å
• α: 90°
• β: 93.319 ± 0.01°
• γ: 90°
• Cell volume: 2827.3 ± 0.6 ų
• Cell temperature: 250 ± 0.1 K
• Ambient diffraction temperature: 250 ± 0.1 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: 0.1035
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No