Information card for entry 4066361

Structure parameters

• Common name: jdew1
• Chemical name: jdew1
• Formula: C17 H26 O2 W
• Calculated formula: C17 H26 O2 W
• SMILES: [cH]12[c]3([cH]4[c]5([cH]6[c]1(C(C)C)[WH2]23456(C#[O])C#[O])C(C)C)C(C)C
• Title of publication: Dihydrogen Complexes of the Chromium Group: Synthesis and Characterization of (Arene)M(CO)2(H2) Complexes
• Authors of publication: Egbert, Jonathan D.; Heinekey, D. Michael
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3387
• a: 11.6528 ± 0.0002 Å
• b: 11.7581 ± 0.0002 Å
• c: 12.1589 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1665.95 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No