Information card for entry 1561969

Structure parameters

• Formula: C108 H156 Cl Mo36 N48 Ni6 O126 P3
• Calculated formula: C108 H156 Cl Mo36 N48 Ni6 O126.02 P3
• Title of publication: Assembly of new polyoxometalate‒templated metal‒organic frameworks based on flexible ligands
• Authors of publication: Li, Na; Mu, Bao; Lv, Lei; Huang, Rudan
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 226
• Pages of publication: 88 - 93
• a: 22.2555 ± 0.0009 Å
• b: 22.2555 ± 0.0009 Å
• c: 12.5854 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5398.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1749
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.2978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No