Information card for entry 7110307

Structure parameters

• Formula: C49 H14 Cl2 Cu F26 N4 Sb
• Calculated formula: C49 H14 Cl2 Cu F26 N4 Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Cu]12([n]3c(ccc4ccc5ccc([n]1c5c34)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[n]1c(ccc3ccc4ccc([n]2c4c13)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.ClCCl
• Title of publication: Oxidation-resistant, sterically demanding phenanthrolines as supporting ligands for copper(i) nitrene transfer catalystsElectronic Supplementary Information (ESI) available: Synthesis of 1?4?, with spectroscopic and analytical details; crystallographic data plus additional structures. See http://www.rsc.org/suppdata/cc/b4/b404515g/
• Authors of publication: Hamilton, Charles W.; Laitar, David S.; Sadighi, Joseph P.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 14
• Pages of publication: 1628 - 1629
• a: 12.5042 ± 0.0013 Å
• b: 14.2178 ± 0.0015 Å
• c: 14.2393 ± 0.0015 Å
• α: 74.479 ± 0.002°
• β: 85.194 ± 0.002°
• γ: 74.395 ± 0.002°
• Cell volume: 2349.1 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No