Information card for entry 7014827

Structure parameters

• Formula: C54 H78 Cd2 N4 O15
• Calculated formula: C54 H64 Cd2 N4 O15
• Title of publication: Synthesis, structural diversity and fluorescent characterisation of a series of d10 metal‒organic frameworks (MOFs): reaction conditions, secondary ligand and metal effects
• Authors of publication: Zhang, Wei Hong; Dong, Zhe; Wang, Yao Yu; Hou, Lei; Jin, Jun Cheng; Huang, Wen Huan; Shi, Qi Zhen
• Journal of publication: Dalton Transactions
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 2509
• a: 13.1885 ± 0.0011 Å
• b: 18.1129 ± 0.0015 Å
• c: 24.841 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5934.1 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No