Information card for entry 7023012

Structure parameters

• Formula: C89 H66 Cl2 F12 Ir2 N12 O10 P2
• Calculated formula: C89 H62 Cl2 F12 Ir2 N12 O10 P2
• Title of publication: Solution, structural and photophysical aspects of substituent effects in the N^N ligand in [Ir(C^N)2(N^N)]+ complexes.
• Authors of publication: Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Martin, Colin J.; Wright, Iain A.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegas, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 8086 - 8103
• a: 9.776 ± 0.003 Å
• b: 14.684 ± 0.005 Å
• c: 17.409 ± 0.005 Å
• α: 74.15 ± 0.02°
• β: 76.01 ± 0.02°
• γ: 72.54 ± 0.02°
• Cell volume: 2258.3 ± 1.3 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: 0.0733
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No