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Information card for entry 7212931
Preview
Coordinates | 7212931.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H4 Br1.3 Cl0.2 Cu N2 S4 |
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Calculated formula | C8 H4 Br1.3 Cl0.2 Cu N2 S4 |
Title of publication | Metallic coordination supramolecule, [Cu(i)Cl0.2Br1.3(pyra-TTF)0.5+] |
Authors of publication | Ichikawa, Shun; Takahashi, Kazuyuki; Matsuda, Masaki; Tajima, Hiroyuki; Mori, Hatsumi |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2010 |
Journal volume | 20 |
Journal issue | 45 |
Pages of publication | 10130 |
a | 7.4234 ± 0.0017 Å |
b | 11.953 ± 0.003 Å |
c | 7 ± 0.0016 Å |
α | 90.147 ± 0.007° |
β | 105.932 ± 0.005° |
γ | 85.179 ± 0.006° |
Cell volume | 595 ± 0.2 Å3 |
Cell temperature | 160 K |
Ambient diffraction temperature | 160 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for all reflections included in the refinement | 0.0548 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7212931.cif |
93678 | 2014-01-13 | cif/ Adding structures of 7212929, 7212930, 7212931, 7212932 via cif-deposit CGI script. |
7212931.cif |
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Users of the data should acknowledge the original authors of the
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