Information card for entry 7014110

Structure parameters

• Formula: C48 H56.96 Cu2 Fe2 N12 O17.94
• Calculated formula: C48 H52 Cu2 Fe2 N12 O17.93
• Title of publication: Bis[1,1'-N,N'-(2-picolyl)aminomethyl]ferrocene as a redox sensor for transition metal ions.
• Authors of publication: Cui, Xiuling; Carapuça, Helena M; Delgado, Rita; Drew, Michael G. B.; Felix, Vitor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 11
• Pages of publication: 1743 - 1751
• a: 11.852 ± 0.013 Å
• b: 17.28 ± 0.02 Å
• c: 27.41 ± 0.03 Å
• α: 90°
• β: 99.32 ± 0.01°
• γ: 90°
• Cell volume: 5540 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1982
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No