Information card for entry 4063758

Structure parameters

• Formula: C25 H39 N3 O3 P V
• Calculated formula: C25 H39 N3 O3 P V
• SMILES: [V]1234(P(N(C(C)C)C(C)C)c5n(c[n+](c5)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 18.3014 ± 0.0011 Å
• b: 8.5447 ± 0.0006 Å
• c: 18.7453 ± 0.0011 Å
• α: 90°
• β: 116.968 ± 0.003°
• γ: 90°
• Cell volume: 2612.6 ± 0.3 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 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: 0.0703
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No