Information card for entry 2007227

Structure parameters

• Formula: C9 H6 O3 W
• Calculated formula: C9 H6 O3 W
• SMILES: [W]12345(C#[O])(C#[O])(C#[O])[cH]6[cH]2[cH]4[cH]5[cH]3[cH]16
• Title of publication: The Final Member of an Isologous Series of Arenetricarbonyl Complexes: [W(η^6^-C~6~H~6~)(CO)~3~]
• Authors of publication: Oh, Jane M.; Geib, Steven J.; Cooper, N. John
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 581 - 583
• a: 6.1119 ± 0.0012 Å
• b: 11.047 ± 0.002 Å
• c: 6.7488 ± 0.0013 Å
• α: 90°
• β: 101.23 ± 0.03°
• γ: 90°
• Cell volume: 446.94 ± 0.15 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for all reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.0713
• Goodness-of-fit parameter for all reflections: 1.259
• Goodness-of-fit parameter for significantly intense reflections: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No