Information card for entry 4310406

Structure parameters

• Formula: C49 H40 Cl Ir N2 O P2
• Calculated formula: C49 H40 Cl Ir N2 O P2
• SMILES: [IrH]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)Oc3c([N]1=Nc1c2cc(Cl)cc1)cc(cc3)C
• Title of publication: Iridium(III) Complexes Formed by O-H and/Or C-H Activation of 2-(Arylazo)phenols
• Authors of publication: Rama Acharyya; Falguni Basuli; Ren-Zhang Wang; Thomas C. W. Mak; Samaresh Bhattacharya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 704 - 711
• a: 11.9489 ± 0.0014 Å
• b: 17.659 ± 0.002 Å
• c: 21.253 ± 0.003 Å
• α: 80.931 ± 0.003°
• β: 86.527 ± 0.003°
• γ: 76.068 ± 0.003°
• Cell volume: 4297 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1577
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No