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Information card for entry 8101953
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| Coordinates | 8101953.cif |
|---|
| Chemical name | dimethanol-bis(1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-olato)- dicopper(II) dibromide |
|---|---|
| Formula | C28 H46 Br2 Cu2 N8 O4 |
| Calculated formula | C28 H46 Br2 Cu2 N8 O4 |
| Title of publication | Crystal structure of dimethanol-bis(1,3-bis(3,5-dimethylpyrazol-1- yl)-propan-2-olato)dicopper(II) dibromide, [Cu~2~(C~13~H~19~N~4~O) ~2~(CH~3~OH)~2~]Br~2~ |
| Authors of publication | Zhang, G.-F.; Dou, Y.-L.; She, J.-B.; Yin, M.-H. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 2 |
| Pages of publication | 181 - 182 |
| a | 11.914 ± 0.004 Å |
| b | 16.368 ± 0.005 Å |
| c | 18.237 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3556 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1061 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1489 |
| Weighted residual factors for all reflections included in the refinement | 0.1846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101953.cif |
| 107948 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101953.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101953.cif |
| 12692 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101953 via cif-deposit CGI script. |
8101953.cif |
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