Information card for entry 4072130

Structure parameters

• Formula: C32 H48 Cl4 N4 O3 Sn2 W
• Calculated formula: C32 H48 Cl4 N4 O3 Sn2 W
• SMILES: [W]12([Sn]([Cl]1)(Cl)(Cl)Cl)([n]1n(c(cc1C)C)C([Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1)n1[n]2c(cc1C)C)(C#[O])(C#[O])C#[O]
• 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: 10.6878 ± 0.0016 Å
• b: 12.4245 ± 0.0018 Å
• c: 17.41 ± 0.003 Å
• α: 74.486 ± 0.003°
• β: 75.947 ± 0.003°
• γ: 65.769 ± 0.002°
• Cell volume: 2008 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No