Information card for entry 7211991

Structure parameters

• Formula: C8 H45 Mo6 N6 Na O35 P4
• Calculated formula: C8 H34 Mo6 N6 Na O35 P4
• SMILES: [Mo]12345([Mo]67(O1)([O]1[Mo]89([Mo]%10%11(O8)(O9)([O]8[Mo]9%12([Mo](O9)(O%12)([O]2P18=O)(O3)(OP(=O)(O)O5)=O)(O%10)(=O)OP(=O)(O)O%11)=O)(O6)(=O)OP(=O)([O-])O7)(=O)O4)=O.[Na+].C(C[NH2+]CC[NH3+])[NH3+].C(C[NH2+]CC[NH3+])[NH3+].O.O.O.O
• Title of publication: pH-dependent assembly of a series of inorganic‒organic hybrid molybdenum(v) phosphate
• Authors of publication: Zhang, Xiao; Yi, Zhihui; Zhao, Liyan; Chen, Qian; Wang, Xiaolin; Xu, Jiqing; Xia, Wujiong; Yang, Chao
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 595
• a: 12.428 ± 0.003 Å
• b: 12.595 ± 0.003 Å
• c: 13.069 ± 0.003 Å
• α: 85.49 ± 0.03°
• β: 73.43 ± 0.03°
• γ: 82.21 ± 0.03°
• Cell volume: 1940.9 ± 0.9 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: 0.0379
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No