Information card for entry 4327021

Structure parameters

• Formula: C45 H41 Mn3 N27 O4
• Calculated formula: C45 H21 Mn3 N27 O4
• Title of publication: Metal-Organic Frameworks Based on Unprecedented Trinuclear and Pentanuclear Metal-Tetrazole Clusters as Secondary Building Units
• Authors of publication: Seok Jeong; Xiaokai Song; Sehyun Jeong; Minhak Oh; Xinfang Liu; Dongwook Kim; Dohyun Moon; Myoung Soo Lah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12133 - 12140
• a: 20.792 ± 0.004 Å
• b: 20.792 ± 0.004 Å
• c: 13.814 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5171.8 ± 1.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No