Information card for entry 4076103

Structure parameters

• Formula: C32 H40 F12 Ir2 N8 P2
• Calculated formula: C32 H40 F12 Ir2 N8 P2
• Title of publication: Instability of Square Planar N3-Ligand Iridium(I) Ethene Complexes
• Authors of publication: Thewissen, Simone; Reijnders, Maike D. M.; Smits, Jan M. M.; de Bruin, Bas
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5964
• a: 21.8924 ± 0.0007 Å
• b: 21.8924 ± 0.0007 Å
• c: 32.8309 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15735.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.1142
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No