Information card for entry 7701031

Structure parameters

• Formula: C60 H71 Cl Ir2 P2 Si4
• Calculated formula: C60 H71 Cl Ir2 P2 Si4
• Title of publication: Iridium complexes featuring a tridentate SiPSi ligand: from dimeric to monomeric 14, 16 or 18-electron species.
• Authors of publication: Cuevas-Chávez, Cynthia A; Vendier, Laure; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 14010 - 14018
• a: 12.2965 ± 0.0006 Å
• b: 12.8675 ± 0.0006 Å
• c: 18.4988 ± 0.0009 Å
• α: 84.086 ± 0.001°
• β: 87.716 ± 0.001°
• γ: 74.647 ± 0.001°
• Cell volume: 2807.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0182
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No