Information card for entry 1520027

Structure parameters

• Formula: C27 H30 Ir1.04 N3 O3
• Calculated formula: C27 H30 Ir1.0418 N3 O3
• Title of publication: Catalytic Transfer of Magnetism Using a Neutral Iridium Phenoxide Complex
• Authors of publication: Ruddlesden, Amy J.; Mewis, Ryan E.; Green, Gary G. R.; Whitwood, Adrian C.; Duckett, Simon B.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2997
• a: 8.7533 ± 0.0003 Å
• b: 19.4098 ± 0.0011 Å
• c: 13.9131 ± 0.0004 Å
• α: 90°
• β: 90.472 ± 0.003°
• γ: 90°
• Cell volume: 2363.75 ± 0.17 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0415
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No