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Information card for entry 7205890
Preview
Coordinates | 7205890.cif |
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Original paper (by DOI) | HTML |
Common name | from C:/gsas/MyWork/TTT4-EDITED.CIF |
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Formula | C20 H18 Br2 Hg N6 O2 S2 |
Calculated formula | C20 H18 Br2 Hg N6 O2 S2 |
Title of publication | C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction |
Authors of publication | Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M. |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 11 |
Pages of publication | 3710 |
a | 7.798 ± 0.005 Å |
b | 34.458 ± 0.024 Å |
c | 9.449 ± 0.007 Å |
α | 90° |
β | 94.53 ± 0.005° |
γ | 90° |
Cell volume | 2531 ± 3 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 |
RFsqd | 0.08258 |
Goodness-of-fit parameter for all reflections | 1.4 |
Method of determination | powder diffraction |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.5406 Å |
Diffraction radiation type | CuKα |
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. |
7205890.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205890.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205890.cif |
21043 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205888, 7205889, 7205890, 7205891 via cif-deposit CGI script. |
7205890.cif |
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Users of the data should acknowledge the original authors of the
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