Information card for entry 7028458

Structure parameters

• Formula: C30 H40 F6 Ir N4 P
• Calculated formula: C30 H40 F6 Ir N4 P
• Title of publication: It's all about Me: methyl-induced control of coordination stereochemistry by a flexible tridentate N,C,N' ligand.
• Authors of publication: Kariuki, Benson M.; Platts, James A.; Newman, Paul D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2971 - 2978
• a: 10.42 ± 0.0003 Å
• b: 11.6201 ± 0.0003 Å
• c: 14.6854 ± 0.0003 Å
• α: 108.477 ± 0.002°
• β: 90.483 ± 0.002°
• γ: 116.294 ± 0.001°
• Cell volume: 1488.64 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No