Information card for entry 4336265

Structure parameters

• Formula: C36 H47 Co1.5 Mo5 N6 O37 P2
• Calculated formula: C36 H49 Co1.5 Mo5 N6 O37 P2
• Title of publication: Functionalized Pentamolybdodiphosphate-Based Inorganic-Organic Hybrids: Synthesis, Structure, and Properties
• Authors of publication: Xiao-Min Li; Ya-Guang Chen; Chunnian Su; Shi Zhou; Qun Tang; Tian Shi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11422 - 11427
• a: 12.476 ± 0.005 Å
• b: 12.715 ± 0.005 Å
• c: 20.931 ± 0.005 Å
• α: 74.508 ± 0.005°
• β: 86.133 ± 0.005°
• γ: 76.031 ± 0.005°
• Cell volume: 3105.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1508
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No