Information card for entry 2004913

Structure parameters

• Chemical name: Tricarbonyl(cyclopentadienyl)(selenotriphenylphosphonium)tungsten(I) Perchlorate
• Formula: C26 H20 Cl O7 P Se W
• Calculated formula: C26 H20 Cl O7 P Se W
• SMILES: [W]1234([Se]=P(c5ccccc5)(c5ccccc5)c5ccccc5)(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.Cl(=O)(=O)(=O)[O-]
• Title of publication: Tricarbonyl(cyclopentadienyl)(selenotriphenylphosphonium)tungsten(I) Perchlorate, [W(C~5~H~5~)(C~18~H~15~PSe)(CO)~3~](ClO~4~)
• Authors of publication: Thöne, C.; Jones, P. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1084 - 1086
• a: 10.6262 ± 0.001 Å
• b: 18.101 ± 0.002 Å
• c: 14.1962 ± 0.0014 Å
• α: 90°
• β: 107.376 ± 0.008°
• γ: 90°
• Cell volume: 2606 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.0524
• Goodness-of-fit parameter for all reflections: 0.905
• Goodness-of-fit parameter for significantly intense reflections: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No