Information card for entry 7202012

Structure parameters

• Formula: C84 H71 B4 Br3 Cu F16 N12
• Calculated formula: C84 H70 B4 Br2.916 Cu F16 N12
• Title of publication: Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands
• Authors of publication: Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1243
• a: 28.553 ± 0.002 Å
• b: 8.2201 ± 0.0006 Å
• c: 16.7163 ± 0.0013 Å
• α: 90°
• β: 100.746 ± 0.003°
• γ: 90°
• Cell volume: 3854.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No