Information card for entry 4318051

Structure parameters

• Common name: K(18-crown-6)IrH4(PPh3)2
• Formula: C48 H58 Ir K O6 P2
• Calculated formula: C48 H58 Ir K O6 P2
• SMILES: [IrH4]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Large Effects of Ion Pairing and Protonic-Hydridic Bonding on the Stereochemistry and Basicity of Crown-, Azacrown-, and Cryptand-222-potassium Salts of Anionic Tetrahydride Complexes of Iridium(III)
• Authors of publication: Shaun E. Landau; Kai E. Groh; Alan J. Lough; Robert H. Morris
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2995 - 3007
• a: 10.3032 ± 0.0002 Å
• b: 21.511 ± 0.0004 Å
• c: 23.1192 ± 0.0005 Å
• α: 64.927 ± 0.001°
• β: 80.982 ± 0.001°
• γ: 84.862 ± 0.001°
• Cell volume: 4582.22 ± 0.16 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No