Information card for entry 4085934

Structure parameters

• Formula: C87 H118 Cl14 I10 Ir4 N18
• Calculated formula: C87 H118 Cl14 I10 Ir4 N18
• Title of publication: Di- and Trinuclear Iridium(III) Complexes with Poly-Mesoionic Carbenes Synthesized through Selective Base-Dependent Metalation
• Authors of publication: Maity, Ramananda; van der Meer, Margarethe; Hohloch, Stephan; Sarkar, Biprajit
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 3090
• a: 46.714 ± 0.005 Å
• b: 16.719 ± 0.005 Å
• c: 16.211 ± 0.005 Å
• α: 90 ± 0.005°
• β: 105.662 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 12191 ± 5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.099
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No