Information card for entry 4072486

Structure parameters

• Formula: C42 H74 Al2 Cl8 N2 O4 P4 W2
• Calculated formula: C42 H74 Al2 Cl8 N2 O4 P4 W2
• SMILES: C(#[O])[W]1234(C#[O])(=PN(C(C)C)C(C)C)([P](C)(CC[P](C)([W]5678(C#[O])(C#[O])(=PN(C(C)C)C(C)C)[c]9([c]8([c]7([c]6([c]59C)C)C)C)C)C)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.[Al](Cl)(Cl)(Cl)[Cl-].[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: 8.462 ± 0.0008 Å
• b: 14.075 ± 0.0014 Å
• c: 25.811 ± 0.003 Å
• α: 90°
• β: 92.329 ± 0.013°
• γ: 90°
• Cell volume: 3071.6 ± 0.6 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: 0.0464
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No