Information card for entry 1512658

Structure parameters

• Formula: C30 H33 Cl2 Cu N10 O8.5
• Calculated formula: C30 H33 Cl2 Cu N10 O8.5
• SMILES: [Cu]1([n]2ccccc2c2cccc[n]12)([n]1ccc(cc1)N)([n]1ccc(cc1)N)[n]1ccc(cc1)N.c1cc(ccn1)N.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: A special case of copper(II) complex having monodentate and uncoordinated 4-aminopyridine molecules stabilized by highly cooperative supramolecular interactions
• Authors of publication: Feng Xu; Tao Tao; Qian-Qian Liu; Jiao Geng; Wei Huang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 465 - 468
• a: 13.424 ± 0.002 Å
• b: 22.054 ± 0.004 Å
• c: 47.809 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14154 ± 4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No