Information card for entry 4121222

Structure parameters

• Formula: C20 H40 N3 P2 Rh
• Calculated formula: C20 H40 N3 P2 Rh
• SMILES: [Rh]12([P](C=CN2C=C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[N]#N
• 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: 7.867 ± 0.002 Å
• b: 27.05 ± 0.006 Å
• c: 11.866 ± 0.002 Å
• α: 90°
• β: 106.53 ± 0.02°
• γ: 90°
• Cell volume: 2420.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes