Information card for entry 7211528

Structure parameters

• Formula: C72 H76 Co4 N16 O20
• Calculated formula: C72 H76 Co4 N16 O20
• Title of publication: Design and constructions of three novel metal‒organic frameworks based on pillared-layer motifs
• Authors of publication: Xu, Yan-Yan; Xing, Yan-Yan; Duan, Xian-Ying; Li, Yi-Zhi; Zhu, Hui-Zhen; Meng, Qing-Jin
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 567
• a: 11.77 ± 0.002 Å
• b: 13.743 ± 0.003 Å
• c: 12.618 ± 0.002 Å
• α: 90°
• β: 97.437 ± 0.003°
• γ: 90°
• Cell volume: 2023.9 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No