Information card for entry 7210584

Structure parameters

• Formula: C30 H36 Mo3 N12 O9
• Calculated formula: C30 H36 Mo3 N12 O9
• SMILES: [Mo]1(O[Mo](=O)(=O)(O[Mo](=O)(=O)(O1)([n]1cn(cc1)C=C)[n]1ccn(C=C)c1)([n]1cn(C=C)cc1)[n]1cn(C=C)cc1)(=O)(=O)([n]1cn(cc1)C=C)[n]1ccn(C=C)c1
• 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: 9.6874 ± 0.0007 Å
• b: 18.8238 ± 0.0014 Å
• c: 10.3652 ± 0.0006 Å
• α: 90°
• β: 102.994 ± 0.007°
• γ: 90°
• Cell volume: 1841.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No