Information card for entry 7701029

Structure parameters

• Formula: C54 H64 Cl2 Ir2 P2 Si4
• Calculated formula: C54 H64 Cl2 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: 10.4849 ± 0.0008 Å
• b: 11.5765 ± 0.0009 Å
• c: 12.4188 ± 0.0009 Å
• α: 68.798 ± 0.002°
• β: 78.844 ± 0.002°
• γ: 76.585 ± 0.003°
• Cell volume: 1356.98 ± 0.18 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: 0.026
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.0441
• 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: No
• Has Fobs: No