Information card for entry 8107667

Structure parameters

• Formula: C28 H32 Cl2 Mn N8 O2
• Calculated formula: C28 H32 Cl2 Mn N8 O2
• Title of publication: Crystal structure of poly[diaqua-(bis(m2-1,4-bis(imidazol-1-ylmethyl)benzene)-κ 2 N,N′-manganese] dichloride, C28H32MnN8O2Cl2
• Authors of publication: Gu, Si-Na; Ou, Zhi-Ying; Wu, Ting-Ting; Nie, Ting-Yu; Liu, Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1085 - 1087
• a: 8.987 ± 0.004 Å
• b: 9.061 ± 0.003 Å
• c: 10.706 ± 0.002 Å
• α: 88.65 ± 0.02°
• β: 66.12 ± 0.02°
• γ: 89.89 ± 0.02°
• Cell volume: 796.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2062
• Residual factor for significantly intense reflections: 0.1033
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No