Information card for entry 7048040

Structure parameters

• Formula: C49 H40 Cl2 Cu F6 Fe N2 P3
• Calculated formula: C49 H40 Cl2 Cu F6 Fe N2 P3
• 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: 11.0955 ± 0.0003 Å
• b: 17.6608 ± 0.0004 Å
• c: 24.8674 ± 0.0008 Å
• α: 90°
• β: 101.073 ± 0.003°
• γ: 90°
• Cell volume: 4782.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1043
• 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: Yes
• Has Fobs: No