Information card for entry 7202015

Structure parameters

• Formula: C42 H36 Cu2 N24
• Calculated formula: C42 H36 Cu2 N24
• SMILES: [Cu]1([N](=N#N)[Cu]([n]2c(CN3c4[n+](c5ccccc5c5ccccc45)CC3)cccc2)([N]1=N#N)(N=N#N)N=N#N)(N=N#N)(N=N#N)[n]1c(CN2c3[n+](c4ccccc4c4ccccc34)CC2)cccc1
• 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: 31.917 ± 0.002 Å
• b: 8.5868 ± 0.0005 Å
• c: 15.9626 ± 0.001 Å
• α: 90°
• β: 107.844 ± 0.002°
• γ: 90°
• Cell volume: 4164.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0611
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No