Information card for entry 7015527

Structure parameters

• Formula: C48 H41 Cl2 Cu N15 O8
• Calculated formula: C48 H41 Cl2 Cu N15 O8
• SMILES: [Cu]1234([n]5nc(cn5Cc5[n]1c(ccc5)Cn1[n]2nc(c1)c1ccccc1)c1ccccc1)[n]1nc(c2ccccc2)cn1Cc1[n]3c(ccc1)Cn1[n]4nc(c1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].CC#N
• Title of publication: Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.
• Authors of publication: Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3655 - 3665
• a: 11.6858 ± 0.0007 Å
• b: 12.5597 ± 0.0008 Å
• c: 17.8088 ± 0.0011 Å
• α: 70.093 ± 0.001°
• β: 78.667 ± 0.001°
• γ: 79.742 ± 0.001°
• Cell volume: 2392.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0584
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No