Information card for entry 4334341

Structure parameters

• Formula: C32 H39 N O5 P Re W2
• Calculated formula: C32 H39 N O5 P Re W2
• SMILES: [W]1234([P](N([W]5678(=O)[cH]9[cH]8[cH]7[cH]6[cH]59)[Re]5678(C#[O])(C#[O])[c]9([cH]8[cH]7[cH]6[cH]59)C)(C5CCCCC5)C5CCCCC5)(C#[O])(C#[O])[cH]5[cH]2[cH]3[cH]1[cH]45
• Title of publication: Low-Temperature N-O Bond Cleavage and Reversible N-P Bond Formation Processes in the Reactions of the Unsaturated Anions [M2(η5-C5H5)2(μ-PCy2)(μ-CO)2]- (M = Mo, W) with the Nitrosyl Complex [Re(η5-C5H4Me)(CO)2(NO)]+
• Authors of publication: M. Angeles Alvarez; M. Esther García; Miguel A. Ruiz; Adrián Toyos; M. Fernanda Vega
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3942 - 3952
• a: 35.5058 ± 0.0019 Å
• b: 11.0077 ± 0.0004 Å
• c: 17.6403 ± 0.0009 Å
• α: 90°
• β: 113.516 ± 0.006°
• γ: 90°
• Cell volume: 6321.9 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No