Information card for entry 4072482

Structure parameters

• Formula: C54 H71 B Mo N O2 P3
• Calculated formula: C54 H71 B Mo N O2 P3
• SMILES: [Mo]12345([P](=P(C)(C)C[P]1(C)C)N(C(C)C)C(C)C)(C#[O])(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccccc1
• 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: 17.6501 ± 0.0009 Å
• b: 16.4751 ± 0.0008 Å
• c: 35.5604 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10340.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No