Information card for entry 4102554

Structure parameters

• Formula: C130 H183 Mo N13
• Calculated formula: C130 H183 Mo N13
• Title of publication: Synthesis of [(DPPNCH2CH2)3N]3- Molybdenum Complexes (DPP = 3,5-(2,5-Diisopropylpyrrolyl)2C6H3) and Studies Relevant to Catalytic Reduction of Dinitrogen
• Authors of publication: Michael R. Reithofer; Richard R. Schrock; Peter Müller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8349 - 8358
• a: 12.746 ± 0.0002 Å
• b: 18.0416 ± 0.0003 Å
• c: 27.6442 ± 0.0004 Å
• α: 92.626 ± 0.001°
• β: 100.951 ± 0.001°
• γ: 106.505 ± 0.001°
• Cell volume: 5950.36 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No