Information card for entry 4317021

Structure parameters

• Formula: C60 H38 N6 O9 Zn3
• Calculated formula: C60 H38 N6 O9 Zn3
• Title of publication: A Bioinspired Synthetic Approach for Building Metal-Organic Frameworks with Accessible Metal Centers
• Authors of publication: Paul M. Barron; Curtis A. Wray; Chunhua Hu; Zhiyong Guo; Wonyoung Choe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10217 - 10219
• a: 23.5973 ± 0.0013 Å
• b: 23.6053 ± 0.0013 Å
• c: 28.0515 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15625.3 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No