Information card for entry 7701035

Structure parameters

• Formula: C32 H41 Cl Ir N4 P Si2
• Calculated formula: C32 H41 Cl Ir N4 P Si2
• 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: 14.0609 ± 0.0006 Å
• b: 9.467 ± 0.0004 Å
• c: 27.1645 ± 0.0011 Å
• α: 90°
• β: 104.79 ± 0.001°
• γ: 90°
• Cell volume: 3496.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0244
• Weighted residual factors for all reflections included in the refinement: 0.0236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No