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Information card for entry 7205874
Preview
Coordinates | 7205874.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H85 Br6 Cl4 Cu7 N17 O9 |
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Calculated formula | C50 H54 Br6 Cl4 Cu7 N17 O9 |
Title of publication | Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate |
Authors of publication | Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 8 |
Pages of publication | 2820 |
a | 23.261 ± 0.004 Å |
b | 13.8565 ± 0.0019 Å |
c | 24.237 ± 0.004 Å |
α | 90° |
β | 106.222 ± 0.002° |
γ | 90° |
Cell volume | 7501 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.1055 |
Residual factor for significantly intense reflections | 0.0923 |
Weighted residual factors for significantly intense reflections | 0.1666 |
Weighted residual factors for all reflections included in the refinement | 0.1729 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180389 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58. |
7205874.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205874.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205874.cif |
21039 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205874, 7205875 via cif-deposit CGI script. |
7205874.cif |
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Users of the data should acknowledge the original authors of the
structural data.