Information card for entry 2200384

Structure parameters

• Chemical name: cis-Dicarbonylbis[1,2-ethanediylbis(diphenylphosphine)-P,P']tungsten(0) benzene sesquisolvate
• Formula: C63 H57 O2 P4 W
• Calculated formula: C63 H57 O2 P4 W
• SMILES: C1C[P](c2ccccc2)(c2ccccc2)[W]2(C#[O])(C#[O])([P]1(c1ccccc1)c1ccccc1)[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: <i>cis</i>-Dicarbonylbis[1,2-ethanediylbis(diphenylphosphine)-<i>P,P</i>']tungsten(0) benzene sesquisolvate
• Authors of publication: Filippou, Alexander, C.; Philippopoulos, Athanassios, I.; Ziemer, Burkhard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: m338 - m340
• a: 12.675 ± 0.002 Å
• b: 18.259 ± 0.003 Å
• c: 22.864 ± 0.004 Å
• α: 89.15 ± 0.02°
• β: 87.73 ± 0.02°
• γ: 77.31 ± 0.02°
• Cell volume: 5158.1 ± 1.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes