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Information card for entry 4102411
Preview
| Coordinates | 4102411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H80 As4 Br2 Pt2 |
|---|---|
| Calculated formula | C84 H80 As4 Br2 Pt2 |
| SMILES | [Pt]1234([Pt](Br)([As](c5c3cc(cc5)C(C)C)(c3ccccc3)c3ccccc3)([As](c3c4cc(cc3)C(C)C)(c3ccccc3)c3ccccc3)(c3c([As]1(c1ccccc1)c1ccccc1)ccc(c3)C(C)C)c1c([As]2(c2ccccc2)c2ccccc2)ccc(c1)C(C)C)Br |
| Title of publication | Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature |
| Authors of publication | Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 7094 - 7103 |
| a | 14.2622 ± 0.0002 Å |
| b | 21.2716 ± 0.0002 Å |
| c | 24.0645 ± 0.0002 Å |
| α | 90° |
| β | 105.077 ± 0.0006° |
| γ | 90° |
| Cell volume | 7049.36 ± 0.13 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for all reflections | 0.078 |
| Weighted residual factors for significantly intense reflections | 0.0528 |
| Weighted residual factors for all reflections included in the refinement | 0.078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4102411.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 {}' |
4102411.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102411.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102411.cif |
| 25284 | 2011-09-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4102411 via cif-deposit CGI script. |
4102411.cif |
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Users of the data should acknowledge the original authors of the
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