Information card for entry 7033042

Structure parameters

• Formula: C33 H30 Cu N6 O9
• Calculated formula: C33 H30 Cu N6 O9
• Title of publication: A series of MOFs based on a triangular tri(4-pyridylphenyl)amine ligand combined with carboxylate or nitrate auxiliary ligands.
• Authors of publication: Meng, Fandian; Zhang, Mingdao; Shen, Kang; Li, Yizhi; Zheng, Hegen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1412 - 1419
• a: 17.676 ± 0.004 Å
• b: 8.814 ± 0.003 Å
• c: 24.121 ± 0.004 Å
• α: 90°
• β: 93.01 ± 0.004°
• γ: 90°
• Cell volume: 3752.8 ± 1.7 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 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: 0.0608
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No