Information card for entry 4073617

Structure parameters

• Common name: 05230
• Formula: C14 H20 I N O3 W
• Calculated formula: C14 H20 I N O3 W
• SMILES: [W]1234(C#[O])(C#[O])(C#[O])(C)[c]5([cH]4[cH]3[cH]2[cH]15)CC[N+](C)(C)C.[I-]
• Title of publication: [(2-(Trimethylammonium)ethyl)cyclopentadienyl]tricarbonylmetalates: Group VI Metal Zwitterions
• Authors of publication: Fischer, Paul J.; Herm, Zoey R.; Kucera, Benjamin E.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4680
• a: 14.725 ± 0.004 Å
• b: 7.807 ± 0.002 Å
• c: 16.683 ± 0.004 Å
• α: 90°
• β: 115.575 ± 0.004°
• γ: 90°
• Cell volume: 1729.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No