Information card for entry 2001539

Structure parameters

• Chemical name: Dicarbonylbis(μ-3,5-dimethylpyrazolyl)bis(O-4-tolyl-P,P-diphenylphosphinite)diiridium(I) dichloromethane solvate
• Formula: C51 H50 Cl2 Ir2 N4 O4 P2
• Calculated formula: C50.959 H49.918 Cl1.918 Ir2 N4 O4 P2
• Title of publication: Structure of dicarbonylbis-(μ-3,5-dimethylpyrazolyl)-bis(4-tolyl diphenylphosphinite)diiridium(I)‒dichloromethane (1/1)
• Authors of publication: Faridδag, Ramy S.; Henling, Lawrence M.; Gray, Harry B.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 1363 - 1365
• a: 18.677 ± 0.002 Å
• b: 13.817 ± 0.001 Å
• c: 20.225 ± 0.003 Å
• α: 90°
• β: 101.37 ± 0.01°
• γ: 90°
• Cell volume: 5116.8 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0316
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections: 0.0025
• Weighted residual factors for significantly intense reflections: 0.0025
• Goodness-of-fit parameter for all reflections: 1.46
• Goodness-of-fit parameter for significantly intense reflections: 1.46
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No