Information card for entry 4322067

Structure parameters

• Formula: C92 H104 Fe2 Ir Na O6 P4
• Calculated formula: C92 H104 Fe2 Ir Na O6 P4
• SMILES: [Ir]12([P]([c]34[cH]5[Fe]6789%10%113([cH]4[cH]6[cH]57)[c]3([P]1(c1ccccc1)c1ccccc1)[cH]8[cH]9[cH]%10[cH]%113)(c1ccccc1)c1ccccc1)[P]([c]13[cH]4[Fe]56789%101([c]1([cH]5[cH]6[cH]7[cH]81)[P]2(c1ccccc1)c1ccccc1)[cH]3[cH]9[cH]4%10)(c1ccccc1)c1ccccc1.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• 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: 13.325 ± 0.003 Å
• b: 23.976 ± 0.005 Å
• c: 26.774 ± 0.007 Å
• α: 90°
• β: 98.77 ± 0.02°
• γ: 90°
• Cell volume: 8454 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0727
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.2096
• Weighted residual factors for significantly intense reflections: 0.1174
• Goodness-of-fit parameter for all reflections: 1.138
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No