Information card for entry 4075647

Structure parameters

• Common name: chlorotungstenocene diphenylstannyl chloride
• Formula: C22 H20 Cl2 Sn W
• Calculated formula: C22 H20 Cl2 Sn W
• SMILES: Cl[W]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)([cH]1[cH]6[cH]5[cH]7[cH]81)[Sn](Cl)(c1ccccc1)c1ccccc1
• 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: 15.7779 ± 0.0015 Å
• b: 9.1602 ± 0.0009 Å
• c: 14.0138 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2025.4 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No