Information card for entry 4347432

Structure parameters

• Formula: C40 H54 Mn Mo18 N40 O84 P6 Sr
• Calculated formula: C40 H54 Mn Mo18 N40 O84 P6 Sr
• SMILES: [Mo]1234(O[Mo]567(O[Mo]89%10(O[Mo]%11%12%13(O[Mo]%14%15(O5)(O[Mo]5%16(O[Mo]%17%18(O[Mo]%19%20([O]%11P%11%21=[O]9[Sr]9%22%23%24%25%26%27[O]%28[Mo]%29%30%31([O]9[Mo]9%32([O]%22P(=O)(O%10)[O]%10[Mo]%22%33(O8)([O]8[Mo]%34%35([O]%11%22[Mo](O%20)(O%13)(O%33)(=O)O%34)([O]([Mo]%108(=O)(O%32)=O)P(=O)(O[Mo](O[Mo]8%10(O%17)(O[Mo]%11([O]25P(=[O]7%23)([O]%24%10)[O]%15%18)([O]3[Mo]([O]1P(=O)(O6)[O]%27%30)([O]%11P%28(O8)=[O][Mn](O%29)([OH2])([OH2])([n]1c(nc[nH]1)c1[nH]c(nn1)c1c[nH+]cc[nH+]1)[OH2])(=O)(=O)O%31)(=O)O%16)=O)(O%19)([O]%21%25)(=O)O%35)[O]%269)=O)=O)(=O)=O)=O)(O%12)=O)(O%14)=O)(=O)O4)=O)=O)=O)=O)=O.n1nc([nH]c1c1nc[nH]n1)c1c[nH+]cc[nH+]1.[nH]1c(nnc1c1nc[nH]n1)c1[nH+]cc[nH+]c1.O.[nH]1nc(nc1)c1[nH]c(nn1)c1c[nH+]cc[nH+]1.O.O.[nH]1nc(nc1c1nc[nH]n1)c1[nH+]cc[nH+]c1.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: 16.645 ± 0.007 Å
• b: 18.268 ± 0.008 Å
• c: 23.747 ± 0.01 Å
• α: 89.543 ± 0.007°
• β: 74.209 ± 0.007°
• γ: 76.897 ± 0.007°
• Cell volume: 6756 ± 5 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 all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No