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Information card for entry 4063344
Preview
| Coordinates | 4063344.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H25 Cl2 N5 Pt |
|---|---|
| Calculated formula | C19 H25 Cl2 N5 Pt |
| SMILES | [Pt]12(=C3N(C=CN3c3[n]1c(N1C=2N(C=C1)CCCC)ccc3)CCCC)Cl.[Cl-] |
| Title of publication | Water-Induced Changes of Photoluminescence of a Pincer-Type N-Heterocyclic Carbene Platinum(II) Complex |
| Authors of publication | Lee, Chen-Shiang; Sabiah, Shahulhameed; Wang, Ju-Chun; Hwang, Wen-Shu; Lin, Ivan J. B. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 2 |
| Pages of publication | 286 |
| a | 10.3263 ± 0.0008 Å |
| b | 11.8733 ± 0.0009 Å |
| c | 12.352 ± 0.001 Å |
| α | 62.968 ± 0.002° |
| β | 67.171 ± 0.002° |
| γ | 72.603 ± 0.002° |
| Cell volume | 1229.37 ± 0.17 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 | 0.0781 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178528 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/33. |
4063344.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063344.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063344.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4063344.cif |
| 10890 | 2011-02-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4063344, 4063345 via cif-deposit CGI script. |
4063344.cif |
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