Information card for entry 4327022

Structure parameters

• Formula: C72 H82 Mn5 N40 O10
• Calculated formula: C72 H80 Mn5 N40 O10
• 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: 36.795 ± 0.007 Å
• b: 15.904 ± 0.003 Å
• c: 26.761 ± 0.005 Å
• α: 90°
• β: 131.73 ± 0.03°
• γ: 90°
• Cell volume: 11687 ± 7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2472
• Weighted residual factors for all reflections included in the refinement: 0.2598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No