Information card for entry 7051462

Structure parameters

• Formula: C10 H75 Mn Mo12 N10 Na O69 P8
• Calculated formula: C10 H50 Mn Mo12 N10 Na O69 P8
• SMILES: [O]12[Mo]3456(=O)OP([O-])(O[Mo]789([O]%10[Mn]%11%121([O]1[Mo]%13%14%15%16(O[Mo]%17%18%19([O]%12[Mo]%12%20%17([O]%17P(=O)([O]%21[Mo]%22%23%24(OP([O-])(O[Mo]1%16%21(O%13)(O%23)=O)=O)([O]%11[Mo]%17%24(O%12)(OP([O-])(=O)O%20)(O%22)=O)=O)[O]%14%18)(O%19)=O)(OP([O-])(O%15)=O)=O)=O)[O]1[Mo]%11%12%13%14(O(P(=O)([O]37)[O]3[Mo]78%10(O[Mo]1%123(OP(=O)(O7)[O-])(O%13)=O)(O9)=O)[Mo]26(O%11)(OP(=O)([O-])O%14)(O4)=O)=O)(O5)=O)=O.C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].C([NH3+])C[NH3+].[Na+].O.O.O.O.O.O.O
• Journal of publication: New Journal of Chemistry
• Year of publication: 1999
• a: 12.047 ± 0.002 Å
• b: 14.647 ± 0.003 Å
• c: 21.254 ± 0.004 Å
• α: 80.68 ± 0.02°
• β: 83.04 ± 0.03°
• γ: 76.34 ± 0.03°
• Cell volume: 3582.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1254
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No