Information card for entry 4086048

Structure parameters

• Formula: C76 H76 Cl N P3 Rh
• Calculated formula: C76 H76 Cl N P3 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: 32.485 ± 0.0005 Å
• b: 14.6044 ± 0.0002 Å
• c: 13.3357 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6326.78 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No