Information card for entry 4316445

Structure parameters

• Formula: C48 H52 Mn6 N44 O14
• Calculated formula: C48 H42 Mn6 N44 O14
• Title of publication: Novel Three-Dimensional Metal-Azide Network Induced by a Bipyridine-Based Zwitterionic Monocarboxylate Ligand: Structures and Magnetism
• Authors of publication: Yu Ma; Xiu-Bing Li; Xiu-Chun Yi; Qin-Xiang Jia; En-Qing Gao; Cai-Ming Liu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8092 - 8098
• a: 10.979 ± 0.002 Å
• b: 15.309 ± 0.003 Å
• c: 21.552 ± 0.004 Å
• α: 81.932 ± 0.006°
• β: 88.5 ± 0.006°
• γ: 85.318 ± 0.007°
• Cell volume: 3574.2 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No