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Information card for entry 7151396
Preview
| Coordinates | 7151396.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H54.123 Cl9.877 N6 O3.123 Pt Zn3 |
|---|---|
| Calculated formula | C22 H48 Cl9.877 N6 O3.123 Pt Zn3 |
| Title of publication | Specificity in template syntheses of hexaaza-macrobicyclic cages: [Pt(Me5-tricosatrieneN6)]4+ and [Pt(Me5-tricosaneN6)]4+ |
| Authors of publication | Kylie N. Brown; Rodney J. Geue; Trevor W. Hambley; David C. R. Hockless; A. David Rae; Alan M. Sargeson |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2003 |
| Journal volume | 1 |
| Journal issue | 9 |
| Pages of publication | 1598 - 1608 |
| a | 23.502 ± 0.009 Å |
| b | 15.453 ± 0.003 Å |
| c | 13.68 ± 0.004 Å |
| α | 90° |
| β | 118.66 ± 0.02° |
| γ | 90° |
| Cell volume | 4360 ± 2 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for all reflections | 0.0379 |
| Weighted residual factors for all reflections included in the refinement | 0.0364 |
| Goodness-of-fit parameter for all reflections | 1.619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.704 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193981 (current) | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
7151396.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7151396.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7151396.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7151396.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151396.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7151396.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.