Information card for entry 4347433

Structure parameters

• Formula: C16 H64 Mn2 Mo18 N16 O97 P6 Sr
• Calculated formula: C16 H64 Mn2 Mo18 N16 O97 P6 Sr
• SMILES: [Mo]1234(O[Mo]567([O]8[Sr]9%10%11%12%13%14%15[O]%16[Mo]%17%18([O]%10P%10(=O)O[Mo]%19%20%21([O]9P98=[O]8[Mo]%22%23(O[Mo]%24%25([O]%269[Mo]9([O]%10[Mo]%10([O]([Mo]%26(O7)([O]9%10)(O%25)=O)P(=O)(O6)[O]%11%17)(O%18)(=O)=O)(O%24)(=O)O%19)(O[Mo]8(O[Mo]67(O1)([O]1[Mo]8(O%23)(O[Mo]9%10(O%20)([O]%12=P1([O]2%13)[O]12[Mo]%11%12([O]%13[Mo]%17%18([O]([Mo]1(O%10)([O]%11%18)(O[Mo]2(O6)(O%12)(O8)=[O][Mn]1n2c(nnc2c2c[nH+]cc[n]12)c1[nH]c[nH+][nH+]1)[O])P(=O)(O9)[O]%15[Mo]%16([O]%14P%13(=O)O3)(O%17)(=O)=O)(=O)=O)(=O)O4)=O)(O7)=O)=O)(O5)(O%22)=O)=[O][Mn]1([OH2])(n2c(nnc2c2c[nH+]cc[n]12)c1[nH]c[nH+][nH+]1)([OH2])[OH2])(=O)O%21)=O)(=O)=O)=O)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Nonclassical Phosphomolybdates with Different Degrees of Reduction: Syntheses and Structural and Photo/Electrocatalytic Properties.
• Authors of publication: Chen, Zhao-Yi; Lü, Jing-Hua; Yu, Kai; Zhang, He; Wang, Lu; Wang, Chun-Mei; Zhou, Bai-Bin
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8309 - 8320
• a: 27.6058 ± 0.0011 Å
• b: 26.5475 ± 0.0011 Å
• c: 17.56 ± 0.0007 Å
• α: 90°
• β: 90.302 ± 0.001°
• γ: 90°
• Cell volume: 12868.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No