Information card for entry 4079489

Structure parameters

• Formula: C59.5 H81 B Cl3 F4 N6 O2 Rh
• Calculated formula: C58 H78 B F4 N6 O2 Rh
• Title of publication: Synthesis and Characterization of Cationic Rhodium Peroxo Complexes
• Authors of publication: Cipot-Wechsler, Judy; Covelli, Danielle; Praetorius, Jeremy M.; Hearns, Nigel; Zenkina, Olena V.; Keske, Eric C.; Wang, Ruiyao; Kennepohl, Pierre; Crudden, Cathleen M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7306
• a: 12.4497 ± 0.0009 Å
• b: 16.9195 ± 0.0012 Å
• c: 29.813 ± 0.002 Å
• α: 90°
• β: 96.545 ± 0.001°
• γ: 90°
• Cell volume: 6239 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• 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: 0.0822
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No