Information card for entry 4065490

Structure parameters

• Chemical name: [{<i>η</i>^5^-1-[2-di<i>tert</i>butyldiphosphane ‒<i>κP^1^</i>]cyclopentadienyl}-(<i>η</i>^5^-cyclopentadienyl)-hydrido- tungsten(IV)]
• Formula: C18 H28 P2 W
• Calculated formula: C18 H28 P2 W
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[WH]17893456([cH]3[cH]1[cH]7[cH]8[cH]93)P2P(C(C)(C)C)C(C)(C)C
• Title of publication: Reactions of Lithiated Diphosphanes R2P‒P(SiMe3)Li (R =tBu,iPr,iPr2N, Et2N) with [Cp2WCl2]. Syntheses and Structures of the First Terminal Phosphanylphosphido Complexes of Tungsten(IV)
• Authors of publication: Grubba, Rafał; Baranowska, Katarzyna; Gudat, Dietrich; Pikies, Jerzy
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6655
• a: 15.7151 ± 0.0005 Å
• b: 10.981 ± 0.0003 Å
• c: 11.4561 ± 0.0004 Å
• α: 90°
• β: 110.513 ± 0.004°
• γ: 90°
• Cell volume: 1851.6 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No