Information card for entry 4327577

Structure parameters

• Chemical name: Hydrido(η^2^-(2-pyridylbis(diphenylphosphino)methanido)(η^3^-2-pyridyl bis(diphenylphosphino)methane)iridium(III) tetrafluoroborate diethyl ether solvate
• Formula: C64 H60 B F4 Ir N2 O P4
• Calculated formula: C64 H60 B F4 Ir N2 O P4
• SMILES: [IrH]123([P](c4ccccc4)(c4ccccc4)C(=P1(c1ccccc1)c1ccccc1)c1ccccn1)[P](c1ccccc1)(c1ccccc1)C([P]2(c1ccccc1)c1ccccc1)c1cccc[n]31.[B](F)(F)(F)[F-].O(CC)CC
• Title of publication: Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane
• Authors of publication: Joel T. Mague; Jamin L. Krinsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1962 - 1971
• a: 15.1837 ± 0.001 Å
• b: 21.329 ± 0.002 Å
• c: 18.365 ± 0.003 Å
• α: 90°
• β: 99.081 ± 0.009°
• γ: 90°
• Cell volume: 5873 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No