Information card for entry 7112051

Structure parameters

• Formula: C56 H56 B2 Cl Ir N4 P2
• Calculated formula: C56 H56 B2 Cl Ir N4 P2
• SMILES: c12ccccc1N1C[P](c3ccccc3)(c3ccccc3)[Ir]3(Cl)([P](CN4B3N(c3ccccc43)c3ccccc3)(c3ccccc3)c3ccccc3)B1N2c1ccccc1.CCCCCC
• Title of publication: A bidentate boryl ligand: syntheses of platinum and iridium complexes
• Authors of publication: H. Schubert; W. Leis; H. A. Mayer; L. Wesemann
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2738
• a: 11.135 ± 0.0003 Å
• b: 14.5868 ± 0.0004 Å
• c: 15.8347 ± 0.0004 Å
• α: 93.111 ± 0.001°
• β: 103.149 ± 0.001°
• γ: 95.758 ± 0.001°
• Cell volume: 2483.97 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No