Information card for entry 4067067

Structure parameters

• Formula: C23.25 H33.5 Cl1.5 Ir N
• Calculated formula: C23.25 H33.5 Cl1.5 Ir N
• Title of publication: Orthometalated Amino-Carbene Derivatives of Iridium via Anilines and Terminal Alkynes
• Authors of publication: Kumaran, Elumalai; Sridevi, Venugopal Shanmugham; Leong, Weng Kee
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6417
• a: 22.7532 ± 0.0004 Å
• b: 22.7532 ± 0.0004 Å
• c: 9.0625 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4691.7 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No