Information card for entry 4323949

Structure parameters

• Formula: C16 H10 O6 Se3 W2
• Calculated formula: C16 H10 O6 Se3 W2
• SMILES: [W]1234(C#[O])(C#[O])(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)[Se][Se][Se][W]1234(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Organometallic Selenolates. 3.1Oxidation of (Cyclopentadienyl)tungsten Selenolates and Crystal Structure of [(cp)W(CO)~3~]~2~Se~3~
• Authors of publication: Peter G. Jones; Carsten Thöne
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 6625 - 6626
• a: 8.998 ± 0.002 Å
• b: 10.007 ± 0.002 Å
• c: 11.588 ± 0.002 Å
• α: 101.38 ± 0.02°
• β: 93.71 ± 0.02°
• γ: 90.97 ± 0.02°
• Cell volume: 1020.3 ± 0.4 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: 0.0596
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.0851
• Goodness-of-fit parameter for all reflections: 0.967
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No