Information card for entry 7214995

Structure parameters

• Formula: C96 H64 Cd4 N8 O16
• Calculated formula: C96 H64 Cd4 N8 O16
• Title of publication: Synthesis, structures and luminescent properties of cadmium(ii) metal organic frameworks based on 3-pyrid-4-ylbenzoic acid, 4-pyrid-4-ylbenzoic acid ligands
• Authors of publication: Zhou, Xiaojing; Li, Baiyan; Li, Guanghua; zhou, Qi; Shi, Zhan; Feng, Shouhua
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 4664
• a: 14.498 ± 0.003 Å
• b: 14.899 ± 0.003 Å
• c: 17.473 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3774.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No