Information card for entry 7015530

Structure parameters

• Formula: C23 H19 Cl2 Cu N7
• Calculated formula: C23 H19 Cl2 Cu N7
• SMILES: c1ccccc1c1cn2Cc3[n]4[Cu]([n]2n1)(Cl)([n]1nc(c2ccccc2)cn1Cc4ccc3)Cl
• 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: 12.4784 ± 0.0017 Å
• b: 12.4784 ± 0.0017 Å
• c: 14.4891 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1953.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 171
• Hermann-Mauguin space group symbol: P 62
• Hall space group symbol: P 62
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No