Information card for entry 7020859

Structure parameters

• Formula: C18 H14 B2 I6 Mo2 N12 O5
• Calculated formula: C18 H14 B2 I6 Mo2 N12 O5
• 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: 16.0143 ± 0.0007 Å
• b: 13.1374 ± 0.0005 Å
• c: 18.3143 ± 0.0008 Å
• α: 90°
• β: 110.961 ± 0.001°
• γ: 90°
• Cell volume: 3598.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No