Information card for entry 7046846

Structure parameters

• Formula: C30 H35 Br3 Cl8 F Ir N4
• Calculated formula: C30 H35 Br3 Cl8 F Ir N4
• 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: 10.636 ± 0.003 Å
• b: 13.9904 ± 0.0017 Å
• c: 15.5229 ± 0.0019 Å
• α: 114.736 ± 0.002°
• β: 100.776 ± 0.002°
• γ: 92.828 ± 0.002°
• Cell volume: 2039.7 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No