Information card for entry 4116939

Structure parameters

• Formula: C15 H39 Mo N6 Si3
• Calculated formula: C15 H39 Mo N6 Si3
• SMILES: [Mo]123(N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C)[N]#N
• Title of publication: "Fixation" of Dinitrogen by Molybdenum and the Formation of a Trigonal Planar Iron-Tris[molybdenum(dinitrogen)] Complex
• Authors of publication: Myra B. O'Donoghue; Nadia C. Zanetti; William M. Davis; Richard R. Schrock
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 2753 - 2754
• a: 17.0164 ± 0.0002 Å
• b: 16.9922 ± 0.0003 Å
• c: 34.251 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9903.5 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.0969
• Goodness-of-fit parameter for all reflections: 1.245
• Goodness-of-fit parameter for significantly intense reflections: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No