Information card for entry 7005140

Structure parameters

• Formula: C54 H60 Cu F6 Fe4 N4 O12 S2
• Calculated formula: C54 H60 Cu F6 Fe4 N4 O12 S2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)C(=[O][Cu]([O]=C([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)N)([O]=C(N)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)([O]=C(N)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)N.O1CCCC1.O1CCCC1
• Title of publication: Arranging up to six ferrocene carboxamides around metal centres.
• Authors of publication: Salazar-Mendoza, Domingo; Baudron, Stéphane A; Hosseini, Mir Wais; Kyritsakas, Nathalie; De Cian, André
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 5
• Pages of publication: 565 - 569
• a: 10.011 ± 0.0004 Å
• b: 12.257 ± 0.0004 Å
• c: 12.336 ± 0.0004 Å
• α: 110.917 ± 0.002°
• β: 91.71 ± 0.0019°
• γ: 90.417 ± 0.0013°
• Cell volume: 1413.04 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No