Information card for entry 7020858

Structure parameters

• Formula: C18 H22 B2 Mo2 N12 O6
• Calculated formula: C18 H20 B2 Mo2 N12 O7
• Title of publication: Two new scorpionate oxomolybdenum(VI)-poly(pyrazolyl)borate complexes: synthesis, structure, and catalytic performance in the oxidation of cyclohexane.
• Authors of publication: Xing, Na; Shan, Hui; Tian, Xing; Yao, Qiang; Xu, Li-Ting; Xing, Yong-Heng; Shi, Zhan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 359 - 363
• a: 7.6897 ± 0.0013 Å
• b: 12.978 ± 0.002 Å
• c: 14.815 ± 0.003 Å
• α: 90°
• β: 97.387 ± 0.003°
• γ: 90°
• Cell volume: 1466.2 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.089
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No