Information card for entry 7203417

Structure parameters

• Common name: Compound CS121
• Formula: C12 H105 Mo12 N36 Na O73 P8
• Calculated formula: C12 H76 Mo12 N36 Na O72.7 P8
• Title of publication: Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks
• Authors of publication: Streb, Carsten; Long, De-Liang; Cronin, Leroy
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 629
• a: 13.3317 ± 0.0003 Å
• b: 23.5623 ± 0.0003 Å
• c: 29.911 ± 0.0006 Å
• α: 90°
• β: 93.319 ± 0.001°
• γ: 90°
• Cell volume: 9380 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No