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Information card for entry 2019545
Preview
| Coordinates | 2019545.cif |
|---|---|
| Structure factors | 2019545.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^;κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-bis[(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III)] tetrahydrate |
|---|---|
| Formula | C19 H15 Bi N6 O6 |
| Calculated formula | C19 H15 Bi N6 O6 |
| SMILES | C1(=O)c2cccc3C(=O)O[Bi]([n]23)(N=N#N)(O1)[n]1cccc2c1c1ncccc1cc2.O.O |
| Title of publication | A novel dinuclear bismuth(III) coordination compound: bis(μ-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^;κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-bis[(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III)] tetrahydrate |
| Authors of publication | Zhang, Wei; Feng, Yu-Quan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | 562 - 565 |
| a | 7.28 ± 0.003 Å |
| b | 22.171 ± 0.01 Å |
| c | 24.289 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3920 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0468 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0595 |
| Weighted residual factors for all reflections included in the refinement | 0.068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196234 (current) | 2017-05-05 | cif/2 Fixing Z values and formulae |
2019545.cif 2019545.hkl |
| 181865 | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019545.cif 2019545.hkl |
| 180863 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/95. |
2019545.cif 2019545.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2019545.cif 2019545.hkl |
| 119347 | 2014-07-05 | cif/ Updating files of 2019545 Original log message: Adding full bibliography for 2019545.cif. |
2019545.cif 2019545.hkl |
| 113340 | 2014-05-11 | cif/ hkl/ Adding structures of 2019545 via cif-deposit CGI script. |
2019545.cif 2019545.hkl |
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