Information card for entry 7021808

Structure parameters

• Formula: C35 H50 Mo2 N O2 P S
• Calculated formula: C35 H50 Mo2 N O2 P S
• SMILES: [Mo]123456789([P]%10([Mo]%11%12%13%14([S]%10)([cH]%10[cH]%11[cH]%12[cH]%13[cH]%14%10)(C#[O])C#[O])[C]%102=[C]3([CH]4=[C]5([C@H]([C@@H]%10C(C)(C)C)C=[N]1C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]1[cH]6[cH]7[cH]8[cH]91.[Mo]123456789([P]%10([Mo]%11%12%13%14([S]%10)([cH]%10[cH]%11[cH]%12[cH]%13[cH]%14%10)(C#[O])C#[O])[C]%102=[C]3([CH]4=[C]5([C@@H]([C@H]%10C(C)(C)C)C=[N]1C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Stepwise hydrogenation of an arylthiophosphinidene isocyanide complex to give tethered aldimine and aminocarbene functions.
• Authors of publication: Alvarez, M. Angeles; Alvarez, Belén; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 31
• Pages of publication: 11039 - 11042
• a: 10.3916 ± 0.0003 Å
• b: 17.0023 ± 0.0004 Å
• c: 20.9094 ± 0.0007 Å
• α: 90°
• β: 109.387 ± 0.003°
• γ: 90°
• Cell volume: 3484.82 ± 0.19 ų
• Cell temperature: 108 ± 8 K
• Ambient diffraction temperature: 108 ± 8 K
• Number of distinct elements: 7
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No