Information card for entry 7034326

Structure parameters

• Formula: C33 H46 Cl4 Ir2 N4 S2
• Calculated formula: C33 H46 Cl4 Ir2 N4 S2
• Title of publication: Synthesis of new heteroscorpionate iridium(i) and iridium(iii) complexes.
• Authors of publication: Roa, A. E.; Campos, J.; Paneque, M.; Salazar, V.; Otero, A.; Lara-Sánchez, A; Rodríguez, A M; López-Solera, I; Gómez, M V
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6987 - 6998
• a: 44.234 ± 0.002 Å
• b: 44.234 ± 0.002 Å
• c: 10.1891 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17265.5 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No