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Information card for entry 8101797
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| Coordinates | 8101797.cif |
|---|
| Chemical name | hemi(1,4-diazabicyclo[2.2.2]octane)bis(2-thiopheneacetato)copper(II) |
|---|---|
| Formula | C30 H32 Cu2 N2 O8 S4 |
| Calculated formula | C30 H32 Cu2 N2 O8 S4 |
| Title of publication | Crystal structure of catena-poly[(1,4-diazabicyclo[2.2.2]-octane)tetrakis (2-thiopheneacetato)dicopper(II)], Cu~2~(C~6~H~12~N~2~)(C~6~H~5~O~2~S)~4~ |
| Authors of publication | Zhou, Y.-L.; He, H.-Y.; Zhu, L.-G. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 381 - 382 |
| a | 9.7712 ± 0.0009 Å |
| b | 10.7343 ± 0.0011 Å |
| c | 15.4568 ± 0.0015 Å |
| α | 90° |
| β | 98.136 ± 0.002° |
| γ | 90° |
| Cell volume | 1604.9 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0754 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1782 |
| Weighted residual factors for all reflections included in the refinement | 0.1905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
8101797.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101797.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101797.cif |
| 12536 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101797 via cif-deposit CGI script. |
8101797.cif |
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