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Information card for entry 2018527
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| Coordinates | 2018527.cif |
|---|---|
| Structure factors | 2018527.hkl |
| Original IUCr paper | HTML |
| Chemical name | poly[bis(μ~3~-cyanido-κ^3^<i>N</i>:<i>C</i>:<i>C</i>)[μ~5~-5-(pyridin-4- yl)tetrazolato- κ^5^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''':<i>N</i>'''']tricopper(I)] |
|---|---|
| Formula | C8 H4 Cu3 N7 |
| Calculated formula | C8 H4 Cu3 N7 |
| Title of publication | The three-dimensional coordination network in poly[di-μ~3~-cyanido-μ~5~-[5-(pyridin-4-yl)tetrazolato]-tricopper(I)] |
| Authors of publication | Meng, Gao-Xiang; Zhu, Jian-Hui; Feng, Ya-Min; Huang, Xin-Tang; Yang, He-Lin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m194 - m196 |
| a | 12.4823 ± 0.0019 Å |
| b | 11.8834 ± 0.0018 Å |
| c | 8.7986 ± 0.0013 Å |
| α | 90° |
| β | 129.467 ± 0.002° |
| γ | 90° |
| Cell volume | 1007.5 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0642 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180854 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/85. |
2018527.cif 2018527.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018527.cif 2018527.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018527.cif 2018527.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018527.cif 2018527.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018527.cif 2018527.hkl |
| 63871 | 2012-08-10 | cif/ Adding structures of 2018527 via cif-deposit CGI script. |
2018527.cif |
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Users of the data should acknowledge the original authors of the
structural data.