Information card for entry 4075648

Structure parameters

• Common name: triphenylstannylhydridotungstenocene
• Formula: C28 H26 Sn W
• Calculated formula: C28 H26 Sn W
• SMILES: c1(ccccc1)[Sn](c1ccccc1)(c1ccccc1)[WH]12345678([cH]9[cH]1[cH]6[cH]8[cH]29)[cH]1[cH]3[cH]5[cH]4[cH]71
• 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: 8.1625 ± 0.0008 Å
• b: 16.6601 ± 0.0017 Å
• c: 17.2325 ± 0.0017 Å
• α: 90°
• β: 99.078 ± 0.005°
• γ: 90°
• Cell volume: 2314.1 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• 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: 0.0271
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No