Information card for entry 4072483

Structure parameters

• Formula: C23 H43 Al Cl4 N O2 P3 W
• Calculated formula: C23 H43 Al Cl4 N O2 P3 W
• SMILES: [W]12345([P](=P(C)(C)C[P]1(C)C)N(C(C)C)C(C)C)(C#[O])(C#[O])[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.[Al](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Reactivity of Terminal, Electrophilic Phosphinidene Complexes of Molybdenum and Tungsten. Nucleophilic Addition at Phosphorus and P−P Bond Forming Reactions with Phosphines and Diphosphines
• Authors of publication: Sterenberg, Brian T.; Senturk, Ozan Sanli; Udachin, Konstantin A.; Carty, Arthur J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 925
• a: 8.2179 ± 0.0005 Å
• b: 14.9997 ± 0.0008 Å
• c: 27.3285 ± 0.0015 Å
• α: 90°
• β: 93.159 ± 0.001°
• γ: 90°
• Cell volume: 3363.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0302
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No