Information card for entry 4072128

Structure parameters

• Formula: C30 H32 N4 O4 Sn W
• Calculated formula: C30 H32 N4 O4 Sn W
• SMILES: [Sn](C(C)C)(c1ccccc1)(c1ccccc1)C1n2[n]([W]([n]3n1c(cc3C)C)(C#[O])(C#[O])(C#[O])C#[O])c(C)cc2C
• 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: 8.607 ± 0.006 Å
• b: 10.833 ± 0.008 Å
• c: 17.866 ± 0.012 Å
• α: 93.782 ± 0.011°
• β: 92.825 ± 0.012°
• γ: 112.388 ± 0.011°
• Cell volume: 1531.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1095
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No