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Information card for entry 7031673
Preview
| Coordinates | 7031673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 N6 O6 Pb S2 |
|---|---|
| Calculated formula | C14 H12 N6 O6 Pb S2 |
| SMILES | C1(Nc2ccccc2N1)=[S][Pb]([S]=C1Nc2ccccc2N1)(ON(=O)=O)ON(=O)=O |
| Title of publication | Hemi- and holo-directed lead(II) complexes in a soft ligand environment. |
| Authors of publication | Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 3 |
| Pages of publication | 924 - 937 |
| a | 12.354 ± 0.005 Å |
| b | 16.814 ± 0.006 Å |
| c | 9.0073 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1871 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0519 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.0515 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180022 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/16. |
7031673.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7031673.cif |
| 131033 | 2015-02-04 | cif/ Updating files of 7031671, 7031672, 7031673, 7031674, 7031675, 7031676, 7031677, 7031678, 7031679, 7031680 Original log message: Adding full bibliography for 7031671--7031680.cif. |
7031673.cif |
| 120520 | 2014-07-17 | cif/ Adding structures of 7031671, 7031672, 7031673, 7031674, 7031675, 7031676, 7031677, 7031678, 7031679, 7031680 via cif-deposit CGI script. |
7031673.cif |
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