Information card for entry 4318053

Structure parameters

• Common name: [K(aza-18-crown-6)][IrH4(PiPr3)2]
• Formula: C30 H71 Ir K N O5 P2
• Calculated formula: C30 H71 Ir K N O5 P2
• SMILES: [IrH4]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C).[K]12345[O]6CC[O]5CC[O]1CC[NH]2CC[O]3CC[O]4CC6
• 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: 9.0778 ± 0.0003 Å
• b: 11.1705 ± 0.0002 Å
• c: 20.1852 ± 0.0005 Å
• α: 76.836 ± 0.002°
• β: 81.083 ± 0.002°
• γ: 71.597 ± 0.001°
• Cell volume: 1883.47 ± 0.09 ų
• Cell temperature: 101 ± 0.1 K
• Ambient diffraction temperature: 101 ± 0.1 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: 0.0553
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No