Information card for entry 4076484

Structure parameters

• Common name: 3a
• Chemical name: Rh(bdmpza)Cl2(py)
• Formula: C17 H20 Cl2 N5 O2 Rh
• Calculated formula: C17 H20 Cl2 N5 O2 Rh
• Title of publication: Catalytic Arene H/D Exchange with Novel Rhodium and Iridium Complexes
• Authors of publication: Rhinehart, Jennifer L.; Manbeck, Kimberly A.; Buzak, Sara K.; Lippa, Geoffrey M.; Brennessel, William W.; Goldberg, Karen I.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1943
• a: 11.8837 ± 0.0013 Å
• b: 13.549 ± 0.0015 Å
• c: 12.5024 ± 0.0014 Å
• α: 90°
• β: 103.821 ± 0.002°
• γ: 90°
• Cell volume: 1954.8 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No