Information card for entry 7007111

Structure parameters

• Formula: C78 H66 B2 Cu2 F8 N14
• Calculated formula: C78 H66 B2 Cu2 F8 N14
• SMILES: c1cc2ccccc2c2[n]1[Cu]13[N](=C2)c2ccc(cc2)Cc2ccc(cc2)[N]2=Cc4c5c(cc[n]4[Cu]42[n]2ccc6ccccc6c2C=[N]4c2ccc(cc2)Cc2ccc(cc2)[N]1=Cc1c2c(cc[n]31)cccc2)cccc5.[B](F)(F)(F)[F-].C(#N)C.C(#N)C.C(#N)C.[B](F)(F)(F)[F-].C(#N)C.C(#N)C.C(#N)C
• Title of publication: Aggregation of imine-based metallo-supramolecular architectures through pi-pi interactions.
• Authors of publication: Pascu, Mirela; Clarkson, Guy J.; Kariuki, Benson M.; Hannon, Michael J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 22
• Pages of publication: 2635 - 2642
• a: 9.176 ± 0.003 Å
• b: 14.973 ± 0.005 Å
• c: 15.005 ± 0.004 Å
• α: 116.654 ± 0.006°
• β: 96.444 ± 0.006°
• γ: 94.84 ± 0.004°
• Cell volume: 1809.7 ± 1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2788
• Residual factor for significantly intense reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.2308
• Weighted residual factors for all reflections included in the refinement: 0.2836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No