Information card for entry 4343274

Structure parameters

• Formula: C59 H37 B Cl4 F20 Mo O P2
• Calculated formula: C59 H37 B Cl4 F20 Mo O P2
• SMILES: [MoH2]12345([P](c6ccccc6)(CCC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)([cH]1[cH]5[cH]4[cH]3[cH]21)C#[O].ClCCl.ClCCl.Fc1c(F)c(F)c(c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes with Bound Amines.
• Authors of publication: Zhang, Shaoguang; Bullock, R. Morris
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6397 - 6409
• a: 11.787 ± 0.0006 Å
• b: 17.0199 ± 0.0008 Å
• c: 28.9129 ± 0.0013 Å
• α: 90°
• β: 93.598 ± 0.002°
• γ: 90°
• Cell volume: 5788.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0988
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No