Information card for entry 8103355

Structure parameters

• Formula: C104 H64 Cl6 Mn3 N4 O18
• Calculated formula: C104 H64 Cl6 Mn3 N4 O18
• Title of publication: Crystal structure of bis(2,2'-bipyridyl)-hexa[m-2-(4'-chlorobenzoyl)benzoato-k2O:O')trimanganese(II), Mn3(C10H8N2)2(C14H8O3Cl)6
• Authors of publication: Xiu-Mei Li; Bo Liu; Qing-Wei Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 158
• a: 12.331 ± 0.003 Å
• b: 14.065 ± 0.003 Å
• c: 14.803 ± 0.003 Å
• α: 86.552 ± 0.004°
• β: 69.715 ± 0.003°
• γ: 73.444 ± 0.004°
• Cell volume: 2306.2 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No