Information card for entry 7210576

Structure parameters

• Formula: C32 H52 Mo8 N16 O26
• Calculated formula: C32 H52 Mo8 N16 O26
• SMILES: c1[n](ccn1C)[Mo]123([O]4[Mo]56([O]1[Mo]17([O]6[Mo]68([O]9[Mo]%10([O]([Mo]%11(O[Mo]34(O2)(=O)(=O)[O]%10%11)(O5)(=O)=O)[Mo]89([n]2cn(cc2)C)(O6)(=O)=O)(=O)O7)(O1)(=O)=O)(=O)=O)=O)(=O)=O.c1[nH]cc[n+]1C.c1[nH]cc[n+]1C.n1(cncc1)C.c1[nH]cc[n+]1C.c1[nH]cc[n+]1C.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: 12.025 ± 0.005 Å
• b: 19.464 ± 0.008 Å
• c: 15.323 ± 0.005 Å
• α: 90°
• β: 126.97 ± 0.02°
• γ: 90°
• Cell volume: 2865 ± 2 ų
• Cell temperature: 296 ± 2 K
• 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: 0.025
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No