Information card for entry 7216610

Structure parameters

• Formula: C12 H35 Mo12 N6 O53 P
• Calculated formula: C12 H27 Mo12 N6 O53 P
• SMILES: [Mo]1234(O[Mo]567(O[Mo]89%10(O[Mo]%11%12%13(O[Mo]%14(O[Mo]%15%16([O]%17%18[Mo]%19%20(O%16)(=O)O[Mo]%16(=O)(O%11)([O]8%12=P%18([O]8%11[Mo]%12(O[Mo]%11(O[Mo]8(O%12)(O[Mo]%17(=O)(O%15)(O3)O%20)(O2)=O)(=O)(O%16)O%19)(O9)(O6)=O)[O]47%14)O%10)(=O)O%13)(O5)(O1)=O)=O)=O)=O)=O.C(=O)(CNC(=O)C[NH3+])O.C(=O)(CNC(=O)C[NH3+])O.C(=O)(CNC(=O)C[NH3+])O.O.O.O.O
• Title of publication: Synthesis, properties and structural characterization of an intermolecular photosensitive complex: (HGly-Gly)3PMo12O40·4H2O
• Authors of publication: Han, Zhengbo; Wang, Enbo; Luan, Guoyou; Li, Yangguang; Zhang, Hong; Duan, Yingbo; Hu, Changwen; Hu, Ninghai
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1169
• a: 12.455 ± 0.003 Å
• b: 13.057 ± 0.003 Å
• c: 16.84 ± 0.003 Å
• α: 100.13 ± 0.03°
• β: 102.79 ± 0.03°
• γ: 100.41 ± 0.03°
• Cell volume: 2559.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.0955
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No