Information card for entry 4323057

Structure parameters

• Formula: C18 H45 F3 Mo N6 O3 S Si3
• Calculated formula: C18 H45 F3 Mo N6 O3 S Si3
• SMILES: [Mo]123(N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CC[N]2(C)C)N=N[Si](C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Derivatization of Dinitrogen by Molybdenum in Triamidoamine Complexes
• Authors of publication: Myra B. O'Donoghue; William M. Davis; Richard R. Schrock
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5149 - 5158
• a: 15.61 ± 0.003 Å
• b: 12.478 ± 0.003 Å
• c: 34.085 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6639 ± 2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 8
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections: 0.1609
• Weighted residual factors for significantly intense reflections: 0.1452
• Goodness-of-fit parameter for all reflections: 0.855
• Goodness-of-fit parameter for significantly intense reflections: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No