Information card for entry 4121223

Structure parameters

• Formula: C38 H60 Cl N P3 Rh
• Calculated formula: C38 H60 Cl N P3 Rh
• SMILES: [Rh]12([NH](CC[P]1(C(C)(C)C)C(C)(C)C)CC[P]2(C(C)(C)C)C(C)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• Title of publication: Synthesis and Reactivity of a Transient, Terminal Nitrido Complex of Rhodium
• Authors of publication: Markus G. Scheibel; Yanlin Wu; A. Claudia Stückl; Lennard Krause; Elena Carl; Dietmar Stalke; Bas de Bruin; Sven Schneider
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 17719 - 17722
• a: 10.1464 ± 0.001 Å
• b: 10.4691 ± 0.001 Å
• c: 19.064 ± 0.002 Å
• α: 77.982 ± 0.01°
• β: 81.91 ± 0.02°
• γ: 75.721 ± 0.01°
• Cell volume: 1910.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes