Information card for entry 7015532

Structure parameters

• Formula: C12 H12 Cu N10 O6
• Calculated formula: C12 H12 Cu N10 O6
• SMILES: c1c2C[N](=N#N)[Cu]3(ON(=O)=O)([n]2ccc1)([n]1ccccc1C[N]3=N#N)ON(=O)=O
• 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: 7.2242 ± 0.0006 Å
• b: 8.0475 ± 0.0007 Å
• c: 8.093 ± 0.0007 Å
• α: 84.613 ± 0.001°
• β: 67.877 ± 0.001°
• γ: 76.589 ± 0.001°
• Cell volume: 423.96 ± 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: 0.0239
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No