Information card for entry 7036682

Structure parameters

• Formula: C61 H74 Cd5 N42 O13
• Calculated formula: C50 H36 Cd5 N40 O4
• Title of publication: Constructing novel Cd(ii) metal-organic frameworks based on different highly connected secondary building units via alteration of reaction conditions.
• Authors of publication: Liu, Yan-Qing; Ren, Guo-Jian; Zhang, Ying-Hui; Xu, Jian; Bu, Xian-He
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20361 - 20366
• a: 12.6177 ± 0.0019 Å
• b: 12.5869 ± 0.0018 Å
• c: 28.561 ± 0.004 Å
• α: 90°
• β: 96.843 ± 0.002°
• γ: 90°
• Cell volume: 4503.7 ± 1.1 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.1205
• Weighted residual factors for significantly intense reflections: 0.3052
• Weighted residual factors for all reflections included in the refinement: 0.3058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No