Information card for entry 2008410

Structure parameters

• Formula: C41 H30 N4 O3 W
• Calculated formula: C41 H30 N4 O3 W
• SMILES: [W]12(N(C(=[N]1c1ccccc1)c1ccccc1)c1ccccc1)(N(C(=[N]2c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonylbis(1,2,3-triphenyl-1,3-diazaallyl)tungsten(IV)
• Authors of publication: Abboud, Khalil A.; He, Yingxia; McElwee-White, Lisa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: IUC9900032
• a: 10.195 ± 0.0001 Å
• b: 10.2164 ± 0.0001 Å
• c: 19.3172 ± 0.0001 Å
• α: 75.501 ± 0.001°
• β: 74.862 ± 0.001°
• γ: 64.474 ± 0.001°
• Cell volume: 1730.53 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No