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Information card for entry 2019654
Preview
| Coordinates | 2019654.cif |
|---|---|
| Structure factors | 2019654.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[aqua[μ~4~-2,2'-(diazene-1,2-diyl)dibenzoato]lead(II)] 1,2-bis(pyridin-4-yl)ethylene hemisolvate] |
|---|---|
| Formula | C40 H30 N6 O10 Pb2 |
| Calculated formula | C40 H30 N6 O10 Pb2 |
| SMILES | [Pb+2].[O-]C(=O)c1ccccc1/N=N/c1c(cccc1)C(=O)[O-].[Pb+2].[O-]C(=O)c1ccccc1/N=N/c1c(cccc1)C(=O)[O-].c1cc(ccn1)/C=C/c1ccncc1.O.O |
| Title of publication | The three-dimensional coordination polymer poly[[aqua[μ~4~-2,2'-(diazene-1,2-diyl)dibenzoato]lead(II)] 1,2-bis(pyridin-4-yl)ethylene hemisolvate] |
| Authors of publication | Ma, Fengji; Yu, Caixia; Wang, Huijuan; Zhao, Feng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | 934 - 936 |
| a | 8.2704 ± 0.0017 Å |
| b | 9.927 ± 0.002 Å |
| c | 11.729 ± 0.002 Å |
| α | 95.99 ± 0.03° |
| β | 101.66 ± 0.03° |
| γ | 97.16 ± 0.03° |
| Cell volume | 927.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.018 |
| Residual factor for significantly intense reflections | 0.0168 |
| Weighted residual factors for significantly intense reflections | 0.0405 |
| Weighted residual factors for all reflections included in the refinement | 0.041 |
| 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 | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249787 (current) | 2020-03-27 | cif/2 Fixing some Z values and formulae |
2019654.cif 2019654.hkl |
| 181866 | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019654.cif 2019654.hkl |
| 180864 | 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 2/01/96. |
2019654.cif 2019654.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019654.cif 2019654.hkl |
| 126180 | 2014-11-03 | cif/ Updating files of 2019654 Original log message: Adding full bibliography for 2019654.cif. |
2019654.cif 2019654.hkl |
| 122798 | 2014-09-06 | cif/ hkl/ Adding structures of 2019654 via cif-deposit CGI script. |
2019654.cif 2019654.hkl |
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