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Information card for entry 2017976
Preview
| Coordinates | 2017976.cif |
|---|---|
| Structure factors | 2017976.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[μ~3~-hydroxido-μ~6~-sulfato-μ~3~-(1,2,4-triazolato- κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)-dicadmium(II)] |
|---|---|
| Formula | C2 H3 Cd2 N3 O5 S |
| Calculated formula | C2 H3 Cd2 N3 O5 S |
| Title of publication | Poly[μ~3~-hydroxido-μ~6~-sulfato-μ~3~-(1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)-dicadmium(II)]: a cadmium‒triazolate coordination polymer with a pseudo-cubane-like tetranuclear cluster |
| Authors of publication | Liang, Qian; Pan, Tong-Hen; Huang, Chang-Cang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m56 - m58 |
| a | 19.098 ± 0.004 Å |
| b | 6.7985 ± 0.0014 Å |
| c | 12.251 ± 0.003 Å |
| α | 90° |
| β | 111.85 ± 0.03° |
| γ | 90° |
| Cell volume | 1476.4 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0237 |
| Residual factor for significantly intense reflections | 0.0228 |
| Weighted residual factors for significantly intense reflections | 0.0501 |
| Weighted residual factors for all reflections included in the refinement | 0.0506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.159 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180848 (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 2/01/79. |
2017976.cif 2017976.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. |
2017976.cif 2017976.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017976.cif 2017976.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. | 2017976.cif 2017976.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017976.cif 2017976.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2017976.cif 2017976.hkl |
| 12070 | 2011-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2017976 via cif-deposit CGI script. |
2017976.cif |
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Users of the data should acknowledge the original authors of the
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