Information card for entry 7106029

Structure parameters

• Formula: C118 H100 B2 F48 Ir2 N4
• Calculated formula: C118 H100 B2 F48 Ir2 N4
• Title of publication: Responses to unsaturation in iridium mono(N-heterocyclic carbene) complexes: synthesis and oligomerization of [LIr(H)2Cl] and [LIr(H)2]+
• Authors of publication: Christina Y. Tang; Jan Lednik; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2523
• a: 13.7443 ± 0.0002 Å
• b: 14.4652 ± 0.0003 Å
• c: 15.3265 ± 0.0003 Å
• α: 76.3183 ± 0.0008°
• β: 78.8084 ± 0.0008°
• γ: 88.2739 ± 0.0008°
• Cell volume: 2903.96 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections: 0.1225
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No