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Information card for entry 2229972
Preview
Coordinates | 2229972.cif |
---|---|
Structure factors | 2229972.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[[[2-(2-pyridyl-κ<i>N</i>)-1<i>H</i>-benzimidazole- κ<i>N</i>^3^]copper(II)]-μ-L-methioninato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>'] perchlorate] |
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Formula | C17 H19 Cl Cu N4 O6 S |
Calculated formula | C17 H19 Cl Cu N4 O6 S |
SMILES | [Cu]12([n]3c4ccccc4[nH]c3c3cccc[n]13)([NH2][C@H](C(=O)O2)CCSC)[O]=C1[C@H](CCSC)[NH2][Cu]2([n]3c(c4[n]2c2ccccc2[nH]4)cccc3)O1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | <i>catena</i>-Poly[[[[2-(2-pyridyl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]copper(II)]-μ-<small>L</small>-methioninato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>'] perchlorate] |
Authors of publication | Lu, Yan-Mei; Le, Xue-Yi |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | m642 - m643 |
a | 6.9718 ± 0.0004 Å |
b | 11.8902 ± 0.0006 Å |
c | 24.7024 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2047.73 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0599 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.1026 |
Weighted residual factors for all reflections included in the refinement | 0.1109 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2229972.html
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