Information card for entry 4120241

Structure parameters

• Formula: C34 H40 Cl Cr0.5 N2 O P2
• Calculated formula: C34 H40 Cl Cr0.5 N2 O P2
• Title of publication: Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-Membered Phosphorus Macrocycle
• Authors of publication: Michael T. Mock; Shentan Chen; Molly O'Hagan; Roger Rousseau; William G. Dougherty; W. Scott Kassel; R. Morris Bullock
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11493 - 11496
• a: 9.0093 ± 0.0005 Å
• b: 13.4763 ± 0.0008 Å
• c: 14.3888 ± 0.0009 Å
• α: 67.617 ± 0.003°
• β: 78.022 ± 0.003°
• γ: 71.001 ± 0.003°
• Cell volume: 1520.36 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1708
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No