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Information card for entry 4114605
Preview
| Coordinates | 4114605.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23.5 H22 N4 Pt |
|---|---|
| Calculated formula | C23.5 H22 N4 Pt |
| Title of publication | Synthesis and Characterization of Pt(CN-p-(C2H5)C6H4)2(CN)2, a Crystalline Vapoluminescent Compound That Detects Vapor-Phase Aromatic Hydrocarbons |
| Authors of publication | Carrie E. Buss; Kent R. Mann |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2002 |
| Journal volume | 124 |
| Pages of publication | 1031 - 1039 |
| a | 19.894 ± 0.001 Å |
| b | 18.365 ± 0.001 Å |
| c | 13.15 ± 0.001 Å |
| α | 90 ± 0.001° |
| β | 118.127 ± 0.001° |
| γ | 90 ± 0.001° |
| Cell volume | 4237 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
4114605.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4114605.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114605.cif |
| 67937 | 2012-10-09 | cif/ Adding structures of 4114605 via cif-deposit CGI script. |
4114605.cif |
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Users of the data should acknowledge the original authors of the
structural data.