Information card for entry 4072487

Structure parameters

• Formula: C23 H45 Al Cl4 Mo N O P3
• Calculated formula: C23 H45 Al Cl4 Mo N O P3
• SMILES: [Mo]12345(=PN(C(C)C)C(C)C)([P](C)(C)CC[P]1(C)C)(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: 10.8217 ± 0.0007 Å
• b: 13.4765 ± 0.0009 Å
• c: 23.2393 ± 0.0015 Å
• α: 90°
• β: 97.568 ± 0.001°
• γ: 90°
• Cell volume: 3359.7 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No