Information card for entry 4081281

Structure parameters

• Formula: C33 H44 Cl2 N O P W2
• Calculated formula: C33 H44 Cl2 N O P W2
• SMILES: [W]1234567([W]89%10%11([P]1(C1CCCCC1)C1CCCCC1)(C2=O)(=[C]=3Nc1c(cccc1C)C)[cH]1[cH]8[cH]9[cH]%10[cH]%111)[cH]1[cH]4[cH]5[cH]6[cH]71.C(Cl)Cl
• 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: 12.073 ± 0.002 Å
• b: 13.746 ± 0.003 Å
• c: 20.141 ± 0.004 Å
• α: 90°
• β: 107.077 ± 0.003°
• γ: 90°
• Cell volume: 3195.1 ± 1.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0296
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No