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Information card for entry 7002864
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| Coordinates | 7002864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena[bis(mu2-thiocyanato-N,S) -bis(pyrimidine-N)-copper(II)] |
|---|---|
| Formula | C10 H8 Cu N6 S2 |
| Calculated formula | C10 H8 Cu N6 S2 |
| Title of publication | In situ solid state formation of copper(I) coordination polymers by thermal reduction of copper(II) precursor compounds: structure and reactivity of [Cu(NCS)2(pyrimidine)2]n |
| Authors of publication | Wriedt, Mario; Näther, Christian |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 46 |
| Pages of publication | 10192 - 10198 |
| a | 9.3335 ± 0.0007 Å |
| b | 9.373 ± 0.0007 Å |
| c | 17.1942 ± 0.0013 Å |
| α | 97.879 ± 0.009° |
| β | 97.745 ± 0.009° |
| γ | 115.761 ± 0.008° |
| Cell volume | 1309.7 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0399 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0743 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179732 (current) | 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 7/00/28. |
7002864.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002864.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002864.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7002864.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002864.cif |
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Users of the data should acknowledge the original authors of the
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