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Information card for entry 7014295
Preview
| Coordinates | 7014295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H112 Cl6 Cu6 N18 O32 |
|---|---|
| Calculated formula | C54 H108 Cl6 Cu8 N18 O32 |
| Title of publication | Structure and magnetic properties of tri- and hexa-nuclear hydroxo-bridged copper(II) complexes formed by a trimacrocyclic derivative of 1,4,7-triazacyclononane |
| Authors of publication | Bim Graham; Leone Spiccia; Gary D. Fallon; Milton T. W. Hearn; Frank E. Mabbs; Boujemaa Moubaraki; Keith S. Murray |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Pages of publication | 1226 - 1232 |
| a | 14.4299 ± 0.0004 Å |
| b | 13.941 ± 0.0006 Å |
| c | 21.463 ± 0.001 Å |
| α | 90° |
| β | 109.377 ± 0.001° |
| γ | 90° |
| Cell volume | 4073.1 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0934 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for all reflections | 0.0753 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections | 1.815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.214 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7014295.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" |
7014295.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7014295.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014295.cif |
| 3894 | 2010-12-08 | ../uploads/cif-deposit/cod/cif Adding structures of 7014294, 7014295 via cif-deposit CGI script. |
7014295.cif |
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