Information card for entry 4310405

Structure parameters

• Formula: C49 H41 Cl2 Ir N2 O P2
• Calculated formula: C49 H41 Cl2 Ir N2 O P2
• SMILES: [IrH]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)Oc2c([N]1=Nc1ccc(Cl)cc1)cc(cc2)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: 19.1548 ± 0.0011 Å
• b: 19.6711 ± 0.0011 Å
• c: 23.2453 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8758.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No