Information card for entry 4072131

Structure parameters

• Formula: C14 H15 Cl N4 O3 W
• Calculated formula: C14 H15 Cl N4 O3 W
• SMILES: [W]12(Cl)(C#[O])(C#[O])(C#[O])[n]3n(c(cc3C)C)C2n2[n]1c(cc2C)C
• Title of publication: Bis(3,5-dimethylpyrazol-1-yl)acyl and Bis(3,5-dimethylpyrazol-1-yl)methide Carbonyl Tungsten Derivatives
• Authors of publication: Xie, Yun-Fu; Wen, Zhen-Kang; Tan, Run-Yu; Hong, Juan; Zhao, Shu-Bin; Tang, Liang-Fu
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 5684
• a: 9.196 ± 0.002 Å
• b: 14.033 ± 0.003 Å
• c: 14.305 ± 0.003 Å
• α: 81.941 ± 0.005°
• β: 81.338 ± 0.004°
• γ: 73.698 ± 0.004°
• Cell volume: 1742.2 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1663
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No