Information card for entry 7046850

Structure parameters

• Formula: C29 H33 Br3 Cl6 F N4 O Rh
• Calculated formula: C29 H31 Br3 Cl6 F N4 O Rh
• Title of publication: Preparation of polynuclear NHC complexes by post-synthetic modification of half-sandwich rhodium and iridium complexes bearing C-azolato ligands.
• Authors of publication: Aznarez, Francisco; Gao, Wen-Xi; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 28
• Pages of publication: 9442 - 9452
• a: 11.8662 ± 0.0013 Å
• b: 11.9461 ± 0.0013 Å
• c: 15.5287 ± 0.0017 Å
• α: 72.454 ± 0.002°
• β: 86.588 ± 0.002°
• γ: 60.74 ± 0.002°
• Cell volume: 1820.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2343
• Weighted residual factors for all reflections included in the refinement: 0.2958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No