Information card for entry 2237667

Structure parameters

• Common name: 822 [Ir(Tp^Me2^)(=C(Me)-Ph-O-)Cl].CHCl~3~
• Chemical name: Chlorido[1-(2-oxidophenyl)ethylidene][tris(3,5-dimethylpyrazol-1-yl)hydroborato]iridium(III) chloroform monosolvate
• Formula: C24 H30 B Cl4 Ir N6 O
• Calculated formula: C24 H30 B Cl4 Ir N6 O
• SMILES: [Ir]123(Cl)([n]4n([BH](n5[n]1c(C)cc5C)n1[n]2c(C)cc1C)c(cc4C)C)Oc1ccccc1C=3C.C(Cl)(Cl)Cl
• Title of publication: Chlorido[1-(2-oxidophenyl)ethylidene][tris(3,5-dimethylpyrazol-1-yl)hydroborato]iridium(III) chloroform monosolvate
• Authors of publication: Santos, Laura L.; Paneque, Margarita; Mereiter, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m224 - m225
• a: 10.1271 ± 0.0004 Å
• b: 19.1711 ± 0.0008 Å
• c: 14.3154 ± 0.0006 Å
• α: 90°
• β: 91.956 ± 0.002°
• γ: 90°
• Cell volume: 2777.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes