Information card for entry 4072480

Structure parameters

• Formula: C24 H44 Al Cl4 Mo N O2 P2
• Calculated formula: C24 H44 Al Cl4 Mo N O2 P2
• SMILES: [Mo]1234(=PN(C(C)C)C(C)C)([P](CC)(CC)CC)(C#[O])(C#[O])[c]5([c]1([c]2([c]3([c]45C)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: 10.1662 ± 0.0005 Å
• b: 15.3421 ± 0.0007 Å
• c: 21.4861 ± 0.001 Å
• α: 90°
• β: 94.79 ± 0.001°
• γ: 90°
• Cell volume: 3339.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No