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Information card for entry 7009339
Preview
| Coordinates | 7009339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H61 B2 Br Cu3 F8 N8 O7.5 |
|---|---|
| Calculated formula | C47 H50 B2 Br Cu3 F8 N8 O7.5 |
| Title of publication | Copper(II) complexes of 6-hydroxymethyl-substituted tris(2-pyridylmethyl)amine ligands |
| Authors of publication | He, Zhicong; Chaimungkalanont, P. Jinny; Craig, Donald C.; Colbran, Stephen B. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 9 |
| Pages of publication | 1419 |
| a | 14.6 ± 0.003 Å |
| b | 19.021 ± 0.004 Å |
| c | 19.56 ± 0.003 Å |
| α | 90° |
| β | 90.407 ± 0.008° |
| γ | 90° |
| Cell volume | 5431.8 ± 1.8 Å3 |
| Cell temperature | 294 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.29 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296815 (current) | 2024-12-10 | Changed data names '_diffrn_reflns_{h,k,l}_min', '_diffrn_reflns_{h,k,l}_max', '_exptl_absorpt_correction_t-min' and '_exptl_absorpt_correction_t-max' to '_diffrn_reflns_limit_{h,k,l}_min', '_diffrn_reflns_{h,k,l}_max', '_exptl_absorpt_correction_T_min' and '_exptl_absorpt_correction_T_max' respectively in multiple entries. |
7009339.cif |
| 191942 | 2017-02-09 | cif/7/ (antanas@echidna.ibt.lt) Changing the _atom_site_occupancy data item value from '?' to '1' for all fully occupied atom sites in entries 7005392, 7009333, 7009334, 7009336, 7009338, 7009339, 7010628, 7010907, 7010908, 7010910, 7010911, 7011577, 7011578, 7027372, 7050445, 7050815, 7110713, 7110714, 7151588. |
7009339.cif |
| 179797 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/93. |
7009339.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009339.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009339.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009339.cif |
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