Information card for entry 4116937

Structure parameters

• Formula: C40 H99 Mg Mo2 N12 O2.5 Si6
• Calculated formula: C40 H98 Mg Mo2 N12 O2.5 Si6
• 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: 10.154 ± 0.0002 Å
• b: 16.43 ± 0.0003 Å
• c: 19.8388 ± 0.0005 Å
• α: 89.435 ± 0.001°
• β: 84.123 ± 0.001°
• γ: 82.19°
• Cell volume: 3261.75 ± 0.12 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections: 0.2435
• Weighted residual factors for significantly intense reflections: 0.2274
• Goodness-of-fit parameter for all reflections: 1.165
• Goodness-of-fit parameter for significantly intense reflections: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No