Information card for entry 7040102

Structure parameters

• Formula: C22 H21 N2 O2 P W2
• Calculated formula: C22 H21 N2 O2 P W2
• SMILES: [W]123456([H][W]789%101([P]2(c1ccccc1)c1ccccc1)(N=O)[cH]1[cH]7[cH]8[cH]9[cH]%101)(N=O)[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: The doubly-bonded ditungsten anion [W2Cp2(μ-PPh2)(NO)2](-): an entry to the chemistry of unsaturated nitrosyl complexes.
• Authors of publication: Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Toyos, Adrián
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13300 - 13303
• a: 10.2924 ± 0.0007 Å
• b: 16.6964 ± 0.001 Å
• c: 12.2534 ± 0.0007 Å
• α: 90°
• β: 90.101 ± 0.002°
• γ: 90°
• Cell volume: 2105.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No