Information card for entry 7230161

Structure parameters

• Formula: C23 H25 Cl3 N O Rh
• Calculated formula: C23 H25 Cl3 N O Rh
• SMILES: [Rh]12345(Cl)([c]6([c]4([c]5([c]3([c]26C)C)C)C)C)[n]2ccccc2C(=O)c2c1cccc2.ClCCl
• Title of publication: Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products
• Authors of publication: Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 7164
• a: 26.166 ± 0.005 Å
• b: 10.162 ± 0.002 Å
• c: 8.6509 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2300.3 ± 0.8 ų
• Cell temperature: 104.66 ± 0.14 K
• Ambient diffraction temperature: 104.66 ± 0.14 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No