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Information card for entry 2204597
Preview
Coordinates | 2204597.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Bis(μ-2-aminoethanesulfonato)-κ^3^N,O:O';κ^3^O':N,O;-bis[(bipyridine- κ^2^N,N')(perchlorate-κO)copper(II)] |
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Formula | C24 H28 Cl2 Cu2 N6 O14 S2 |
Calculated formula | C24 H28 Cl2 Cu2 N6 O14 S2 |
SMILES | c12cccc[n]1[Cu]13([NH2]CCS(=O)(=[O][Cu]45([n]6ccccc6c6cccc[n]46)[NH2]CCS(=O)(=[O]1)O5)O3)[n]1ccccc21.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication | Bis(μ-2-aminoethanesulfonato)-κ^3^<i>N</i>,<i>O</i>:<i>O</i>';κ^3^<i>O</i>':<i>N</i>,<i>O</i>-bis[(bipyridine-κ^2^<i>N</i>,<i>N</i>')(perchlorato-κ<i>O</i>)copper(II)] |
Authors of publication | Jin-Hua Cai; Yi-Min Jiang; Xiu-Jian Wang; Zhi-Min Liu |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 11 |
Pages of publication | m1659 - m1661 |
a | 6.741 ± 0.003 Å |
b | 15.58 ± 0.03 Å |
c | 15.126 ± 0.006 Å |
α | 90° |
β | 91.401 ± 0.012° |
γ | 90° |
Cell volume | 1588 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.051 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.114 |
Weighted residual factors for all reflections included in the refinement | 0.166 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2204597.html
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