Information card for entry 7020631

Structure parameters

• Common name: CWG29B
• Formula: C26 H32 Ir N O2
• Calculated formula: C26 H32 Ir N O2
• SMILES: [IrH]12345([N](c6ccc(OC)cc6)=C(C)c6c1cc(OC)cc6)[c]1(C)[c]3([c]2(C)[c]5([c]41C)C)C
• Title of publication: Synthesis and X-ray structures of cyclometalated iridium complexes including the hydrides.
• Authors of publication: Wang, Chao; Chen, Hsin-Yi Tiffany; Bacsa, John; Catlow, C Richard A; Xiao, Jianliang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 935 - 940
• a: 7.1562 ± 0.0007 Å
• b: 31.863 ± 0.003 Å
• c: 9.9929 ± 0.001 Å
• α: 90°
• β: 100.242 ± 0.001°
• γ: 90°
• Cell volume: 2242.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0539
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No