Information card for entry 7021161

Structure parameters

• Common name: chloro-peroxo-bis(1,3-bis(2,6-diisopropylphenyl)imidazol-2- ylidene)-rhodium
• Formula: C54 H72 Cl1.08 N4 O1.84 Rh
• Calculated formula: C54 H72 Cl1.079 N4 O1.842 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: 12.6388 ± 0.0012 Å
• b: 21.168 ± 0.002 Å
• c: 19.895 ± 0.002 Å
• α: 90°
• β: 95.12 ± 0.002°
• γ: 90°
• Cell volume: 5301.4 ± 0.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0709
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No