Information card for entry 4072129

Structure parameters

• Formula: C15 H15 I N4 O4 W
• Calculated formula: C15 H15 I N4 O4 W
• SMILES: C(#[O])[W]12(C#[O])(C#[O])(C(=O)C(n3c(cc(C)[n]13)C)n1c(cc(C)[n]21)C)I
• 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: 7.1875 ± 0.0013 Å
• b: 14.16 ± 0.003 Å
• c: 9.0408 ± 0.0016 Å
• α: 90°
• β: 97.959 ± 0.003°
• γ: 90°
• Cell volume: 911.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No