Information card for entry 4344586

Structure parameters

• Formula: C48 H48 B Ir N4 O5 P2
• Calculated formula: C48 H48 B Ir N4 O5 P2
• SMILES: [IrH]123([P](c4ccccc4)(c4ccccc4)C[B](n4[n]1ccc4)(n1[n]2ccc1)CC=C)[P](c1ccccc1)(c1ccccc1)C(=C(C3=O)C(=O)OC)C(=O)OC.c1(ccccc1)C
• Title of publication: Nucleophilicity and P-C Bond Formation Reactions of a Terminal Phosphanido Iridium Complex.
• Authors of publication: Serrano, Ángel L; Casado, Miguel A.; Ciriano, Miguel A.; de Bruin, Bas; López, José A; Tejel, Cristina
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 828 - 839
• a: 10.6388 ± 0.0014 Å
• b: 12.1439 ± 0.0016 Å
• c: 17.158 ± 0.002 Å
• α: 83.494 ± 0.002°
• β: 80.166 ± 0.002°
• γ: 89.682 ± 0.002°
• Cell volume: 2169.9 ± 0.5 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: 0.0474
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No