Information card for entry 4086046

Structure parameters

• Formula: C53 H54 Cl3 N P2 Rh Sn
• Calculated formula: C53 H54 Cl3 N P2 Rh Sn
• 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: 10.7191 ± 0.0008 Å
• b: 15.4122 ± 0.0012 Å
• c: 16.0465 ± 0.0012 Å
• α: 82.456 ± 0.004°
• β: 70.624 ± 0.004°
• γ: 74.638 ± 0.004°
• Cell volume: 2408.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0951
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No