Information card for entry 4322066

Structure parameters

• Formula: C68 H56 Fe2 Ir P4
• Calculated formula: C68 H56 Fe2 Ir P4
• SMILES: [Ir]12([P]([c]34[Fe]56789%10%11([cH]3[cH]5[cH]6[cH]47)[c]3([P]1(c1ccccc1)c1ccccc1)[cH]8[cH]9[cH]%10[cH]%113)(c1ccccc1)c1ccccc1)[P]([c]13[Fe]456789%10([c]%11([P]2(c2ccccc2)c2ccccc2)[cH]4[cH]5[cH]6[cH]7%11)[cH]1[cH]8[cH]9[cH]3%10)(c1ccccc1)c1ccccc1
• Title of publication: Iridium(III, 0, and -I) Complexes Stabilized by 1,1'-Bis(diphenylphosphino)ferrocene (dppf): Synthesis and Characterization. Crystal Structures of [Na(THF)5][Ir(dppf)2].THF and [Ir(dppf)2]
• Authors of publication: Bruno Longato; Lorenzo Riello; Giuliano Bandoli; Giuseppe Pilloni
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2818 - 2823
• a: 13.019 ± 0.004 Å
• b: 13.765 ± 0.006 Å
• c: 15.549 ± 0.005 Å
• α: 93.74 ± 0.03°
• β: 90.35 ± 0.03°
• γ: 92.07 ± 0.03°
• Cell volume: 2778.6 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections: 0.1637
• Weighted residual factors for significantly intense reflections: 0.1464
• Goodness-of-fit parameter for all reflections: 1.219
• Goodness-of-fit parameter for significantly intense reflections: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No