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Information card for entry 2240240
Preview
| Coordinates | 2240240.cif |
|---|---|
| Structure factors | 2240240.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[(acetato-κ^2^<i>O</i>,<i>O</i>')(μ~3~-acetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>:<i>O</i>')(3,4-diaminobenzonitrile-κ<i>N</i>)lead(II)] |
|---|---|
| Formula | C11 H13 N3 O4 Pb |
| Calculated formula | C11 H13 N3 O4 Pb |
| SMILES | N#Cc1cc(N)c(cc1)[NH2][Pb]12([O]=C(O1)C)[O]=C(O2)C |
| Title of publication | Crystal structures of three lead(II) acetate-bridged diaminobenzene coordination polymers |
| Authors of publication | Geiger, David K.; Parsons, Dylan E.; Zick, Patricia L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | 566 - 572 |
| a | 7.3724 ± 0.0008 Å |
| b | 7.6349 ± 0.0008 Å |
| c | 13.4069 ± 0.0015 Å |
| α | 88.839 ± 0.003° |
| β | 78.33 ± 0.003° |
| γ | 66.035 ± 0.003° |
| Cell volume | 673.71 ± 0.13 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0477 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240240.cif 2240240.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240240.cif 2240240.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240240.cif 2240240.hkl |
| 127782 | 2014-11-22 | cif/ hkl/ Adding structures of 2240238, 2240239, 2240240 via cif-deposit CGI script. |
2240240.cif 2240240.hkl |
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Users of the data should acknowledge the original authors of the
structural data.