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Information card for entry 1543610
Preview
Coordinates | 1543610.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H52 Cl2 Cu N4 O8 |
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Calculated formula | C36 H52 Cl2 Cu N4 O8 |
SMILES | [Cu]123[N]45Cc6ccccc6C[N]1([C@H]1[C@H]4CCCC1)[C@@H](CC[N]12Cc2ccccc2C[N]3([C@@H]2[C@@H]1CCCC2)[C@H](CC5)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Synthesis of new structurally constrained tetraaza macropolycyclic compounds containing two rigid bridges: Crystal structure and chemical properties of a copper(II) complex |
Authors of publication | Shin-Geol Kang; Yun-Taek Lee; Hyungphil Chun; Kimoon Kim |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2014 |
Pages of publication | 315 - 319 |
a | 17.109 ± 0.0003 Å |
b | 15.7941 ± 0.0002 Å |
c | 13.2947 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3592.51 ± 0.09 Å3 |
Cell temperature | 238 ± 2 K |
Ambient diffraction temperature | 238 ± 2 K |
Number of distinct elements | 6 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0686 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1252 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
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/1543610.html
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