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Information card for entry 7223793
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| Coordinates | 7223793.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | catena-(bis(m2-bromo)-(phenazine)-mercury) |
|---|---|
| Chemical name | catena-(bis(m2-bromo)-(phenazine)-mercury) |
| Formula | C12 H8 Br2 Hg N2 |
| Calculated formula | C12 H8 Br2 Hg N2 |
| SMILES | [Hg](Br)(Br)[n]1c2ccccc2nc2c1cccc2 |
| Title of publication | Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands |
| Authors of publication | Slabbert, C.; Rademeyer, M. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 47 |
| Pages of publication | 9070 |
| a | 8.0543 ± 0.0004 Å |
| b | 9.3336 ± 0.0005 Å |
| c | 9.7594 ± 0.0005 Å |
| α | 64.112 ± 0.002° |
| β | 75.888 ± 0.002° |
| γ | 83.03 ± 0.002° |
| Cell volume | 640.03 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0923 |
| Residual factor for significantly intense reflections | 0.0787 |
| Weighted residual factors for significantly intense reflections | 0.203 |
| Weighted residual factors for all reflections included in the refinement | 0.2177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7223793.cif |
| 173656 | 2016-01-07 | cif/ Adding structures of 7223786, 7223787, 7223788, 7223789, 7223790, 7223791, 7223792, 7223793, 7223794, 7223795, 7223796, 7223797, 7223798 via cif-deposit CGI script. |
7223793.cif |
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Users of the data should acknowledge the original authors of the
structural data.