Information card for entry 4335618

Structure parameters

• Formula: C21 H44 Mo6 N5 O34 P
• Calculated formula: C21 H16 Mo6 N5 O34 P
• Title of publication: Carboxylate-Functionalized Phosphomolybdates: Ligand-Directed Conformations
• Authors of publication: Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8987 - 8992
• a: 12.473 ± 0.002 Å
• b: 14.023 ± 0.002 Å
• c: 16.024 ± 0.002 Å
• α: 93.372 ± 0.003°
• β: 105.949 ± 0.003°
• γ: 91.991 ± 0.003°
• Cell volume: 2686.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No