Information card for entry 7021160

Structure parameters

• Formula: C43.51 H51.03 Cl N4 O2.38 Rh
• Calculated formula: C43.5135 H48 Cl N4 O2.378 Rh
• Title of publication: Dioxygen adducts of rhodium N-heterocyclic carbene complexes.
• Authors of publication: Keske, Eric C.; Zenkina, Olena V.; Asadi, Ali; Sun, Hongsui; Praetorius, Jeremy M.; Allen, Daryl P.; Covelli, Danielle; Patrick, Brian O.; Wang, Ruiyao; Kennepohl, Pierre; James, Brian R.; Crudden, Cathleen M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 7414 - 7423
• a: 33.058 ± 0.004 Å
• b: 10.853 ± 0.0012 Å
• c: 23.786 ± 0.003 Å
• α: 90°
• β: 100.712 ± 0.002°
• γ: 90°
• Cell volume: 8385.2 ± 1.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No