Information card for entry 7033043

Structure parameters

• Formula: C114 H90 N10 O47 Zn6
• Calculated formula: C114 H102 N10 O47 Zn6
• 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: 15.169 ± 0.0009 Å
• b: 15.453 ± 0.0009 Å
• c: 16.4504 ± 0.0008 Å
• α: 67.469 ± 0.002°
• β: 80.559 ± 0.002°
• γ: 61.982 ± 0.007°
• Cell volume: 3143.7 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No