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Information card for entry 7010549
Preview
Coordinates | 7010549.cif |
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Original paper (by DOI) | HTML |
Formula | C6 H17 Cl2 Cu N3 O5 |
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Calculated formula | C6 H17 Cl2 Cu N3 O5 |
SMILES | C1C[OH][Cu]23([N]1(CC[NH2]2)CC[NH2]3)Cl.[O-]Cl(=O)(=O)=O |
Title of publication | Elucidation of the mechanism of carboxy ester cleavage promoted by a Cu(ii) alkoxide complex of a tripodal ligand (N3OX) |
Authors of publication | Xia, Jiang; Li, Shu-an; Shi, Yan-bo; Yu, Kai-bei; Tang, Wen-xia |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 14 |
Pages of publication | 2109 |
a | 10.33 ± 0.002 Å |
b | 11.609 ± 0.001 Å |
c | 11.31 ± 0.002 Å |
α | 90° |
β | 107.54 ± 0.01° |
γ | 90° |
Cell volume | 1293.2 ± 0.4 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0326 |
Residual factor for significantly intense reflections | 0.0259 |
Weighted residual factors for significantly intense reflections | 0.0651 |
Weighted residual factors for all reflections included in the refinement | 0.0669 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7010549.html
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