Information card for entry 4063761

Structure parameters

• Formula: C26 H30 N3 O2 P V
• Calculated formula: C26 H30 N3 O2 P V
• SMILES: [V]1234([N]([NH+]=C(c5ccccc5)c5ccccc5)=P(N(C(C)C)C(C)C))(C#[O])(C#[O])[cH]5[cH]2[cH]3[cH]4[cH]51
• Title of publication: Synthesis and Structural Characterization of the First Thermally Stable, Neutral, and Electrophilic Phosphinidene Complexes of Vanadium
• Authors of publication: Graham, Todd W.; Udachin, Konstantin A.; Zgierski, Marek Z.; Carty, Arthur J.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1382
• a: 12.2647 ± 0.0005 Å
• b: 22.7564 ± 0.0009 Å
• c: 9.8417 ± 0.0004 Å
• α: 90°
• β: 117.801 ± 0.002°
• γ: 90°
• Cell volume: 2429.76 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No