Information card for entry 7050566

Structure parameters

• Common name: compound 6
• Chemical name: compound 6
• Formula: C64 H112 Au Cl4 Fe3 P4
• Calculated formula: C64 H112 Au Cl4 Fe3 P4
• SMILES: [Au]1234([Fe]56789%10%11%12([P]%131[C]5(=[C]6([C]7(=[C]8%13CCC)CCC)CCC)CCC)[P]12[C]9(=[C]%10([C]%11(=[C]%121CCC)CCC)CCC)CCC)[Fe]1256789%10([P]%113[C]1(=[C]2([C]5(=[C]6%11CCC)CCC)CCC)CCC)[P]14[C]7(=[C]8([C]9(=[C]%101CCC)CCC)CCC)CCC.[Fe](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Cationic bis-diphosphaferrocene copper and gold complexes
• Authors of publication: Xavier Sava; Mohand Melaimi; Louis Ricard; François Mathey; Pascal Le Floch
• Journal of publication: New J. Chem.
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1233 - 1239
• a: 18.61 ± 0.001 Å
• b: 19.96 ± 0.001 Å
• c: 19.351 ± 0.001 Å
• α: 90°
• β: 95.044 ± 0.001°
• γ: 90°
• Cell volume: 7160.2 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No