Information card for entry 7049417

Structure parameters

• Formula: C78 H62 Cd3 N12 O18 P2
• Calculated formula: C78 H54 Cd3 N12 O18 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: 11.2136 ± 0.0006 Å
• b: 11.2212 ± 0.0006 Å
• c: 14.7386 ± 0.0008 Å
• α: 92.544 ± 0.001°
• β: 90.337 ± 0.001°
• γ: 92.125 ± 0.001°
• Cell volume: 1851.4 ± 0.17 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: 0.029
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No