Information card for entry 4086260

Structure parameters

• Formula: C46 H60 B Cl2 N P Rh
• Calculated formula: C46 H60 B Cl2 N P Rh
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]12345(CCC[P]1(C(C)C)C(C)C)[N]#CC)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: κ3(P,C,C)-Allylphosphane Iridium(III) and Rhodium(III) Complexes: Preparation and Reactivity toward Nucleophilic Reagents
• Authors of publication: Sánchez-Sordo, Irene; Salinas, Sara Mart\?ínez de; D\?íez, Josefina; Lastra, Elena; Gamasa, M. Pilar
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4581
• a: 11.9219 ± 0.0003 Å
• b: 12.5234 ± 0.0004 Å
• c: 15.5992 ± 0.0005 Å
• α: 82.033 ± 0.002°
• β: 74.741 ± 0.002°
• γ: 75.953 ± 0.003°
• Cell volume: 2172.75 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No