Information card for entry 4084280

Structure parameters

• Chemical name: lithium tris(dimethoxyethane)tricarbonyl(cyclopentadienyl) tungstate
• Formula: C20 H35 Li O9 W
• Calculated formula: C20 H35 Li O9 W
• SMILES: [W]1234([cH]5[cH]4[cH]3[cH]2[cH]15)(C#[O])(C#[O])C#[O].[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• Title of publication: Syntheses and Molecular Structures of [RSn{W(CO)3Cp}2][W(CO)3Cp], [RSn{W(CO)3Cp}Cl2], and [RSn{W(CO)3Cp}Cr(CO)5] (R = [4-t-Bu-2,6-{P(O)(OR′)2}2C6H2], R′ = Et,i-Pr). Autoionization Induced by Intramolecular P═O→Sn Coordination
• Authors of publication: Krabbe, Stefan; Wagner, Michael; Löw, Christian; Dietz, Christina; Schürmann, Markus; Hoffmann, Alexander; Herres-Pawlis, Sonja; Lutter, Michael; Jurkschat, Klaus
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 17
• Pages of publication: 4433
• a: 12.181 ± 0.0007 Å
• b: 12.1251 ± 0.0007 Å
• c: 16.8699 ± 0.0011 Å
• α: 90°
• β: 91.493 ± 0.006°
• γ: 90°
• Cell volume: 2490.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No