Information card for entry 4081280

Structure parameters

• Formula: C29 H42 N O2 P W2
• Calculated formula: C29 H42 N O2 P W2
• SMILES: [W]1234567([W]89%10%11%12([P]1(C1CCCCC1)C1CCCCC1)([N]2(C38)C(C)(C)C)(C#[O])[cH]1[cH]9[cH]%10[cH]%11[cH]%121)(C#[O])[cH]1[cH]7[cH]6[cH]5[cH]41
• Title of publication: Insertion, Rearrangement, and Coupling Processes in the Reactions of the Unsaturated Hydride Complex [W2(η5-C5H5)2(H)(μ-PCy2)(CO)2] with Isocyanides
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4543
• a: 9.9462 ± 0.0004 Å
• b: 11.5852 ± 0.0004 Å
• c: 13.6719 ± 0.0005 Å
• α: 105.834 ± 0.002°
• β: 98.692 ± 0.002°
• γ: 107.361 ± 0.002°
• Cell volume: 1399.42 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No