Information card for entry 4075646

Structure parameters

• Common name: chlorotungstenocene di-tert-butylstannyl chloride
• Formula: C18 H28 Cl2 Sn W
• Calculated formula: C18 H28 Cl2 Sn W
• SMILES: [W]12345678([Sn](Cl)(C(C)(C)C)C(C)(C)C)(Cl)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: 1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes
• Authors of publication: Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 3897
• a: 14.081 ± 0.0014 Å
• b: 9.5502 ± 0.001 Å
• c: 15.2488 ± 0.0015 Å
• α: 90°
• β: 107.834 ± 0.005°
• γ: 90°
• Cell volume: 1952.1 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No