Information card for entry 7049416

Structure parameters

• Formula: C76 H74 N16 Ni2 O18 P2
• Calculated formula: C70 H52 N12 Ni2 O10 P2
• 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: 11.0519 ± 0.0006 Å
• b: 14.6451 ± 0.0008 Å
• c: 17.8325 ± 0.0009 Å
• α: 66.652 ± 0.001°
• β: 76.531 ± 0.001°
• γ: 81.124 ± 0.001°
• Cell volume: 2570.9 ± 0.2 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: 0.0799
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No