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Information card for entry 1515952
Preview
| Coordinates | 1515952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H15 Cl N2 O Pt |
|---|---|
| Calculated formula | C14 H15 Cl N2 O Pt |
| SMILES | [Pt]1(c2c(c3[n]1cccc3)cccc2)(Cl)[O]=CN(C)C |
| Title of publication | Synthesis, crystal structure, solution and spectroscopic properties, and hydrogen-evolving activity of [K(18-crown-6)][Pt(ii)(2-phenylpyridinato)Cl2] |
| Authors of publication | Kobayashi, Masayuki; Masaoka, Shigeyuki; Sakai, Ken |
| Journal of publication | Photochemical & Photobiological Sciences |
| Year of publication | 2009 |
| Journal volume | 8 |
| Journal issue | 2 |
| Pages of publication | 196 |
| a | 8.6659 ± 0.0012 Å |
| b | 8.0222 ± 0.0011 Å |
| c | 39.984 ± 0.005 Å |
| α | 90° |
| β | 91.551 ± 0.002° |
| γ | 90° |
| Cell volume | 2778.7 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1148 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515952.cif |
| 171413 | 2015-12-10 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with values 'none', 'NONE' from multiple entries. |
1515952.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
1515952.cif |
| 112678 | 2014-05-03 | cif/ Adding structures of 1515951, 1515952 via cif-deposit CGI script. |
1515952.cif |
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Users of the data should acknowledge the original authors of the
structural data.