Information card for entry 4320434

Structure parameters

• Formula: C37 H45 F2 Mo N O5 P2 S
• Calculated formula: C13 H5 F2 Mo N O5 P2 S
• SMILES: [Mo]12([P]3(N(c4ccccc4)[P]1(F)OC=C[S]2C=CO3)F)(C#[O])(C#[O])C#[O]
• Title of publication: New 10-Membered Inorganic Heterocyclic Diphosphanes, PhN(PX)2{(-OC6H2(tBu)2)(μ-S)((tBu)2C6H2O-)} (X = Cl, F). Synthesis and Transition Metal Complexes (Molybdenum(0), Ruthenium(II), Palladium(II), and Platinum(II)) of Heterocyclic Diphosphanes. Crystal and Molecular Structures of the Chloro Derivative, PhN(PCl)2{(-OC6H2(tBu)2)(μ-S)((tBu)2C6H2O-)}, and of a Molybdenum(0) Complex of the Fluoro Derivative, [Mo(CO)3{η3-PhN(PF)2{(-OC6H2(tBu)2)(μ-S)((tBu)2C6H2O-)}-κP,κP,κS}]
• Authors of publication: Maravanji S. Balakrishna; Rashmishree Panda; Joel T. Mague
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5620 - 5625
• a: 11.7037 ± 0.0007 Å
• b: 12.2971 ± 0.0005 Å
• c: 16.5033 ± 0.0008 Å
• α: 102.382 ± 0.004°
• β: 98.894 ± 0.005°
• γ: 114.284 ± 0.004°
• Cell volume: 2034.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.127
• 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