Information card for entry 2104523

Structure parameters

• Chemical name: bis(2,6-bis(4-(4-Methoxyphenyl)-1,5-dimethylimidazol-2-yl)pyridine-N,N',N")- copper(ii)diperchlorate acetonitrile benzene solvate.
• Formula: C66 H68.5 Cl2 Cu N12.5 O12
• Calculated formula: C62 H64 Cl2 Cu N12 O12
• SMILES: c1(c(n(c2c3cccc4c5n(c(c([n]5[Cu]56([n]12)([n]34)[n]1c(c(n(c1c1cccc(c2n(c(c([n]62)c2ccc(OC)cc2)C)C)[n]51)C)C)c1ccc(OC)cc1)c1ccc(OC)cc1)C)C)C)C)c1ccc(OC)cc1.N#CC.[O-]Cl(=O)(=O)=O.N#CC.[O-]Cl(=O)(=O)=O
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 33.419 ± 0.006 Å
• b: 7.5925 ± 0.0011 Å
• c: 29.974 ± 0.005 Å
• α: 90°
• β: 117.898 ± 0.002°
• γ: 90°
• Cell volume: 6721.5 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No