Information card for entry 4313064

Structure parameters

• Formula: C126 H140 N18 Ni3 O16
• Calculated formula: C126 H132 N18 Ni3 O16
• Title of publication: A New Metal-Organic Open Framework Consisting of Threefold Parallel Interwoven (6,3) Nets
• Authors of publication: Myunghyun Paik Suh; Hye Jin Choi; Soon Mog So; B. Moon Kim
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 676 - 678
• a: 9.424 ± 0.005 Å
• b: 40.582 ± 0.005 Å
• c: 15.819 ± 0.005 Å
• α: 90 ± 0.005°
• β: 96.183 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6015 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No