Information card for entry 7205838

Structure parameters

• Formula: C84 H64 Co3 N6 O20
• Calculated formula: C84 H64 Co3 N6 O20
• Title of publication: Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions
• Authors of publication: Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 3733
• a: 16.713 ± 0.003 Å
• b: 21.571 ± 0.003 Å
• c: 26.609 ± 0.004 Å
• α: 90°
• β: 105.28 ± 0.002°
• γ: 90°
• Cell volume: 9254 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1169
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No