Information card for entry 4076481

Structure parameters

• Common name: Li-1
• Chemical name: [Rh(bdmpza)Cl3]Li.H2O
• Formula: C16 H25 Cl3 Li N4 O4 Rh
• Calculated formula: C16 H25 Cl3 Li N4 O4 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: 8.3096 ± 0.0009 Å
• b: 12.7502 ± 0.0014 Å
• c: 20.107 ± 0.002 Å
• α: 90°
• β: 99.447 ± 0.002°
• γ: 90°
• Cell volume: 2101.4 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.1041
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No