Information card for entry 7203419

Structure parameters

• Common name: Compound CS107
• Formula: C12 H105 Mo12 N12 Na3 O80 P8
• Calculated formula: C12 Mo12 N12 Na3 O80 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: 13.4228 ± 0.0002 Å
• b: 13.4215 ± 0.0003 Å
• c: 14.7383 ± 0.0003 Å
• α: 98.443 ± 0.001°
• β: 104.914 ± 0.001°
• γ: 119.049 ± 0.001°
• Cell volume: 2123.7 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0384
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No