Information card for entry 4338123

Structure parameters

• Formula: C35 H30 N2 O4 P2 W2
• Calculated formula: C35 H30 N2 O4 P2 W2
• SMILES: [W]12345([P](c6ccccc6)(c6ccccc6)[W]6789([P]1(c1ccccc1)c1ccccc1)(ON=O)(C#[O])[cH]1[cH]7[cH]8[cH]9[cH]61)(N=O)[cH]1[cH]3[cH]4[cH]5[cH]21
• Title of publication: Reactions of the Unsaturated Ditungsten Complexes [W2Cp2(μ-PPh2)2(CO)x] (x = 1, 2) with Nitric Oxide: Stereoselective Carbonyl Displacement and Oxygen-Transfer Reactions of a Nitrite Ligand.
• Authors of publication: Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Melón, Sonia; Ruiz, Miguel A.; Toyos, Adrián
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4739 - 4750
• a: 15.0876 ± 0.0003 Å
• b: 11.0682 ± 0.0002 Å
• c: 21.9755 ± 0.0006 Å
• α: 90°
• β: 121.608 ± 0.002°
• γ: 90°
• Cell volume: 3125.35 ± 0.14 ų
• Cell temperature: 118 ± 4 K
• Ambient diffraction temperature: 118 ± 4 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: 0.0417
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No