Information card for entry 7111238

Structure parameters

• Formula: C11 H19 Cl Mo N2 O2
• Calculated formula: C11 H19 Cl Mo N2 O2
• SMILES: [Mo]1(Cl)(=O)(=O)[n]2n1c(cc2C(C)(C)C)C(C)(C)C
• Title of publication: The first molybdenum dioxo compounds with η^2^-pyrazolate ligands: crystal structure and oxo transfer properties
• Authors of publication: Most, Kerstin; Köpke, Sinje; Dall'Antonia, Fabio; Mösch-Zanetti, Nadia C.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 1676 - 1677
• a: 15.35 ± 0.01 Å
• b: 10.28 ± 0.01 Å
• c: 19.75 ± 0.02 Å
• α: 90°
• β: 106.87 ± 0.07°
• γ: 90°
• Cell volume: 2982 ± 5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No