Information card for entry 4086045

Structure parameters

• Formula: C55.5 H57 Cl2 P2 Rh
• Calculated formula: C55.5 H57 Cl2 P2 Rh
• Title of publication: Different Coordination Modes of the Ph2PCsp3PPh2Pincer Ligand in Rhodium Complexes as a Consequence of Csp3‒H Metal Interaction
• Authors of publication: Arras, Janet; Speth, Hansjörg; Mayer, Hermann A.; Wesemann, Lars
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 3629
• a: 11.179 ± 0.0003 Å
• b: 12.6005 ± 0.0004 Å
• c: 17.9554 ± 0.0005 Å
• α: 95.003 ± 0.001°
• β: 93.959 ± 0.001°
• γ: 112.534 ± 0.001°
• Cell volume: 2312.74 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No