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Information card for entry 7205966
Preview
Coordinates | 7205966.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H14 Ag B Br F4 N3 O3.5 |
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Calculated formula | C15 H14 Ag B Br F4 N3 O3.5 |
Title of publication | Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion |
Authors of publication | Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 12 |
Pages of publication | 4121 |
a | 13.106 ± 0.003 Å |
b | 10.729 ± 0.0018 Å |
c | 13.434 ± 0.002 Å |
α | 90° |
β | 106.41 ± 0.02° |
γ | 90° |
Cell volume | 1812.1 ± 0.6 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 8 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.1247 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.0876 |
Weighted residual factors for all reflections included in the refinement | 0.1082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 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. |
7205966.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205966.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205966.cif |
21299 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7205962, 7205963, 7205964, 7205965, 7205966, 7205967, 7205968, 7205969 via cif-deposit CGI script. |
7205966.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.