Information card for entry 7210578

Structure parameters

• Formula: C30 H52 Mo8 N12 O26
• Calculated formula: C30 H52 Mo8 N12 O26
• SMILES: c1[n](ccn1CC)[Mo]123(O[Mo]4563([O]2[Mo]2378([O]1[Mo]19%107(=O)([O]73[Mo]3%11%12(=O)([O]([Mo]%13%14([n]%15cn(cc%15)CC)(O[Mo]97%14(=O)(=O)([O]%11%13)O1)(=O)=O)[Mo]6%12(=O)([O]423)(O5)(O8)=O)O%10)=O)=O)(=O)=O)(=O)=O.c1n(CC)cc[nH+]1.[nH]1cc[n+](c1)CC.c1n(cc[nH+]1)CC.[nH]1cc[n+](c1)CC
• 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: 11.3366 ± 0.0013 Å
• b: 11.3529 ± 0.0013 Å
• c: 11.3639 ± 0.0014 Å
• α: 72.391 ± 0.002°
• β: 71.058 ± 0.002°
• γ: 80.06 ± 0.002°
• Cell volume: 1314 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No