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Information card for entry 2020054
Preview
| Coordinates | 2020054.cif |
|---|---|
| Structure factors | 2020054.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[chloridobismuth(III)]-μ~3~-1,10-phenanthroline-2,9-dicarboxylato-κ^5^<i>O</i>^2^:<i>N</i>^1^,<i>N</i>^10^,<i>O</i>^9^:<i>O</i>^9^] |
|---|---|
| Formula | C28 H12 Bi2 Cl2 N4 O8 |
| Calculated formula | C28 H12 Bi2 Cl2 N4 O8 |
| SMILES | [n]12[Bi]345([n]6c(ccc7c6c2c(ccc1C(=O)[O]4[Bi]124([n]6c(C(=O)[O]52)ccc2c6c5c(cc2)ccc([n]15)C(=O)O4)Cl)cc7)C(=O)O3)Cl |
| Title of publication | A new linear bismuth coordination polymer based on 1,10-phenanthroline-2,9-dicarboxylic acid: ionothermal synthesis, crystal structure and fluorescence properties |
| Authors of publication | Feng, Yu-Quan; Hu, Yu-Long; Wang, Hong-Wei; Cao, Feng-Pu |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| a | 8.887 ± 0.006 Å |
| b | 9.118 ± 0.005 Å |
| c | 10.099 ± 0.004 Å |
| α | 111.034 ± 0.013° |
| β | 115.407 ± 0.009° |
| γ | 92.872 ± 0.013° |
| Cell volume | 669.4 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0308 |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.0666 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219800 (current) | 2019-10-28 | cif/2 Fixing Z values and formulae |
2020054.cif 2020054.hkl |
| 181870 | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020054.cif 2020054.hkl |
| 152107 | 2015-07-16 | cif/ hkl/ Adding structures of 2020054 via cif-deposit CGI script. |
2020054.cif 2020054.hkl |
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