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Information card for entry 4115220
Preview
Coordinates | 4115220.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H38 Cl2 Cu2 N4 O8 S2 |
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Calculated formula | C32 H38 Cl2 Cu2 N4 O8 S2 |
SMILES | [Cu]123[S](CC[N]2(Cc2cccc(c2)C)Cc2[n]1cccc2)[Cu]12[S]3CC[N]2(Cc2cccc(c2)C)Cc2[n]1cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Interconversion between Bis(μ-thiolato)dicopper(II) and Disulfide-Bridged Dicopper(I) Complexes Mediated by Chloride Ion |
Authors of publication | Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 12428 - 12429 |
a | 31.929 ± 0.001 Å |
b | 17.606 ± 0.0005 Å |
c | 13.816 ± 0.0003 Å |
α | 90° |
β | 111.289 ± 0.001° |
γ | 90° |
Cell volume | 7236.6 ± 0.3 Å3 |
Cell temperature | 158.1 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for significantly intense reflections | 0.059 |
Weighted residual factors for all reflections included in the refinement | 0.088 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4115220.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115220.cif |
68663 | 2012-11-14 | cif/ Adding structures of 4115220 via cif-deposit CGI script. |
4115220.cif |
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Users of the data should acknowledge the original authors of the
structural data.