Information card for entry 7210577

Structure parameters

• Formula: C40 H64 Mo8 N20 O26
• Calculated formula: C40 H64 Mo8 N20 O26
• SMILES: c1[n](ccn1C)[Mo]123([O]4[Mo]567(=O)([O]89[Mo]%10%115([O]5[Mo]%11(O%10)([n]%10cn(cc%10)C)([O]%10[Mo]%11%12%13(=O)([O]%14([Mo]48(=O)([O]1[Mo]2%12%14(=O)(=O)(O%13)O3)O%11)[Mo]95%10(=O)O7)=O)(=O)=O)(=O)(=O)O6)=O)(=O)=O.c1n(cc[nH+]1)C.c1[nH]cc[n+]1C.n1cn(cc1)C.n1cn(cc1)C.c1n(cc[nH+]1)C.c1[nH]cc[n+]1C.n1cn(cc1)C.n1cn(cc1)C
• Title of publication: A new synthetic approach to functionalize oxomolybdenum complexes
• Authors of publication: Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 7410
• a: 17.379 ± 0.003 Å
• b: 10.932 ± 0.002 Å
• c: 24.384 ± 0.004 Å
• α: 90°
• β: 134.332 ± 0.008°
• γ: 90°
• Cell volume: 3313.7 ± 1.1 ų
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.3351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No