Information card for entry 7049421

Structure parameters

• Formula: C55 H47 N6 O15 P Zn2
• Calculated formula: C55 H37 N6 O10 P Zn2
• Title of publication: Variation of topologies and entanglements in metal-organic frameworks with mixed tris[4-(1H-imidazol-1-yl)phenyl]phosphine oxide and dicarboxylate ligands.
• Authors of publication: Sun, Yingying; Chen, Xiaojie; Wang, Fengyuan; Ma, Ruidan; Guo, Xianmin; Sun, Shaowen; Guo, Huadong; Alexandrov, Eugeny V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 16
• Pages of publication: 5450 - 5458
• a: 9.953 ± 0.005 Å
• b: 12.572 ± 0.005 Å
• c: 22.406 ± 0.005 Å
• α: 86.109 ± 0.005°
• β: 85.452 ± 0.005°
• γ: 82.818 ± 0.005°
• Cell volume: 2768.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No