Information card for entry 4318052

Structure parameters

• Common name: [K(diaza-18-crown-6)][IrH4(PPh3)2]
• Formula: C54 H74 Ir K N2 O5.5 P2
• Calculated formula: C54 H74 Ir K N2 O5.5 P2
• 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: 36.056 ± 0.007 Å
• b: 14.394 ± 0.003 Å
• c: 23.799 ± 0.005 Å
• α: 90°
• β: 121.11 ± 0.03°
• γ: 90°
• Cell volume: 10575 ± 5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No