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Information card for entry 2239002
Preview
| Coordinates | 2239002.cif |
|---|---|
| Structure factors | 2239002.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[[diaquadeca-μ~2~-cyanido-κ^20^<i>C</i>:<i>N</i>-hexacyanido-κ^6^<i>C</i>-bis(μ~2~-5-methylpyrimidine-κ^2^<i>N</i>:<i>N</i>')bis(5-methylpyrimidine-κ<i>N</i>)tricopper(II)ditungstate(V)] dihydrate] |
|---|---|
| Formula | C36 H32 Cu3 N24 O4 W2 |
| Calculated formula | C36 H32 Cu3 N24 O4 W2 |
| Title of publication | Poly[[diaquadeca-μ~2~-cyanido-κ^20^<i>C</i>:<i>N</i>-hexacyanido-κ^6^<i>C</i>-bis(μ~2~-5-methylpyrimidine-κ^2^<i>N</i>:<i>N</i>')bis(5-methylpyrimidine-κ<i>N</i>)tricopper(II)ditungstate(V)] dihydrate] |
| Authors of publication | Tsunobuchi, Yoshihide; Kaneko, Souhei; Nakabayashi, Koji; Ohkoshi, Shin-ichi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | m47 - m48 |
| a | 7.5953 ± 0.0004 Å |
| b | 11.8232 ± 0.0007 Å |
| c | 14.7017 ± 0.0008 Å |
| α | 79.614 ± 0.001° |
| β | 84.824 ± 0.002° |
| γ | 73.09 ± 0.001° |
| Cell volume | 1241.44 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0301 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0748 |
| Weighted residual factors for all reflections included in the refinement | 0.0785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.243 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239002.cif 2239002.hkl |
| 181309 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90. |
2239002.cif 2239002.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239002.cif 2239002.hkl |
| 104834 | 2014-03-11 | cif/ hkl/ Adding structures of 2239002 via cif-deposit CGI script. |
2239002.cif 2239002.hkl |
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Users of the data should acknowledge the original authors of the
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