Information card for entry 7048039

Structure parameters

• Formula: C36 H40 Cu F6 Fe2 N4 O3 P
• Calculated formula: C36 H40 Cu F6 Fe2 N4 O3 P
• Title of publication: Cyanoferrocenes as redox-active metalloligands for coordination-driven self-assembly.
• Authors of publication: Wilkinson, Luke A.; Yue, Thomas T. C.; Massey, Emma; White, Andrew J. P.; Long, Nicholas J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 72 - 78
• a: 11.325 ± 0.0002 Å
• b: 13.8008 ± 0.0003 Å
• c: 12.4291 ± 0.0002 Å
• α: 90°
• β: 92.485 ± 0.0019°
• γ: 90°
• Cell volume: 1940.77 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No