Information card for entry 4512103

Structure parameters

• Formula: C57 H53 Co2 N11 O15 S2
• Calculated formula: C57 H53 Co2 N11 O15 S2
• Title of publication: Correlation of Mesh Size of Metal‒Carboxylate Layer with Degree of Interpenetration in Pillared-Layer Frameworks
• Authors of publication: Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 5608
• a: 10.5038 ± 0.0003 Å
• b: 34.0884 ± 0.0008 Å
• c: 16.2118 ± 0.0004 Å
• α: 90°
• β: 95.3653 ± 0.0006°
• γ: 90°
• Cell volume: 5779.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0709
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No