Information card for entry 7015533

Structure parameters

• Formula: C7 H7 Cl2 Cu N7
• Calculated formula: C7 H7 Cl2 Cu N7
• SMILES: [Cu]12(Cl)(Cl)[n]3c(cccc3C[N]1=N#N)C[N]2=N#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: 7.1364 ± 0.0004 Å
• b: 9.0635 ± 0.0005 Å
• c: 10.3618 ± 0.0005 Å
• α: 108.756 ± 0.001°
• β: 94.27 ± 0.001°
• γ: 107.286 ± 0.001°
• Cell volume: 595.15 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No