Information card for entry 4076391

Structure parameters

• Formula: C15 H23 N2 O2 P W
• Calculated formula: C15 H23 N2 O2 P W
• SMILES: [W]1234([P](C)(C)C)([cH]5[cH]4[cH]3[cH]2[cH]15)(C#[O])C#[O].n1(c[n+](cc1)C)C
• Title of publication: Facile Thermal W‒W Bond Homolysis in the N-Heterocyclic Carbene Containing Tungsten Dimer [CpW(CO)2(IMe)]2
• Authors of publication: van der Eide, Edwin F.; Liu, Tianbiao; Camaioni, Donald M.; Walter, Eric D.; Bullock, R. Morris
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1775
• a: 8.3961 ± 0.0004 Å
• b: 24.1322 ± 0.0015 Å
• c: 9.1451 ± 0.0005 Å
• α: 90°
• β: 111.076 ± 0.002°
• γ: 90°
• Cell volume: 1728.99 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0121
• Residual factor for significantly intense reflections: 0.012
• Weighted residual factors for significantly intense reflections: 0.0277
• Weighted residual factors for all reflections included in the refinement: 0.0278
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No