Information card for entry 7050565

Structure parameters

• Common name: compound 2
• Chemical name: compound 2
• Formula: C50 H82 Cl6 Cu F6 Fe2 P5
• Calculated formula: C50 H82 Cl6 Cu F6 Fe2 P5
• SMILES: [Cu]1234([Fe]56789%10%11%12([p]%131[c]5([c]6([c]7([c]8%13CC)CC)CC)CC)[p]12[c]9([c]%10([c]%11([c]%121CC)CC)CC)CC)[Fe]1256789%10([p]%113[c]1([c]2([c]5([c]6%11CC)CC)CC)CC)[p]14[c]7([c]8([c]9([c]%101CC)CC)CC)CC.ClC(Cl)Cl.ClC(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• 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: 16.993 ± 0.0005 Å
• b: 19.093 ± 0.0005 Å
• c: 18.827 ± 0.0006 Å
• α: 90°
• β: 102.773 ± 0.001°
• γ: 90°
• Cell volume: 5957.2 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No