Information card for entry 4504941

Structure parameters

• Formula: C42 H50 Cl2 Mn N12 O12
• Calculated formula: C42 H50 Cl2 Mn N12 O12
• Title of publication: New Inorganic−Organic Hybrid Supramolecular Architectures Generated from 2,5-Bis(3-pyridyl)-3,4-diaza-2,4-hexadiene
• Authors of publication: Gao, En-Qing; Cheng, Ai-Ling; Xu, Yan-Xia; Yan, Chun-Hua; He, Ming-Yuan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1005
• a: 8.9231 ± 0.0002 Å
• b: 11.2023 ± 0.0002 Å
• c: 12.7643 ± 0.0002 Å
• α: 101.477 ± 0.0011°
• β: 97.0069 ± 0.0009°
• γ: 98.7719 ± 0.0009°
• Cell volume: 1220.39 ± 0.04 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: 0.0693
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No