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Information card for entry 2019695
Preview
| Coordinates | 2019695.cif |
|---|---|
| Structure factors | 2019695.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diacetonitrilediaqua[μ~2~-3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine-κ^4^<i>N</i>^1^,<i>N</i>^6^:<i>N</i>^3^,<i>N</i>^4^]tetra-μ-cyanido-tetracyanidodimanganese(II)molybdate(IV)] dihydrate] |
|---|---|
| Formula | C24 H22 Mn2 Mo N16 O4 |
| Calculated formula | C24 H22 Mn2 Mo N16 O4 |
| Title of publication | A three-dimensional cyanide-bridged heterometallic coordination polymer: poly[[diacetonitrilediaqua[μ~2~-3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine-κ^4^<i>N</i>^1^,<i>N</i>^6^:<i>N</i>^3^,<i>N</i>^4^]tetra-μ-cyanido-tetracyanidodimanganese(II)molybdate(IV)] dihydrate] |
| Authors of publication | Xu, Xiao-Juan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 1029 - 1032 |
| a | 15.429 ± 0.002 Å |
| b | 11.5947 ± 0.0017 Å |
| c | 18.36 ± 0.003 Å |
| α | 90° |
| β | 101.23 ± 0.003° |
| γ | 90° |
| Cell volume | 3221.6 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0581 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1294 |
| Weighted residual factors for all reflections included in the refinement | 0.1306 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019695.cif 2019695.hkl |
| 180864 | 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 2/01/96. |
2019695.cif 2019695.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. |
2019695.cif 2019695.hkl |
| 128097 | 2014-12-04 | cif/ Updating files of 2019695 Original log message: Adding full bibliography for 2019695.cif. |
2019695.cif 2019695.hkl |
| 125051 | 2014-10-08 | cif/ hkl/ Adding structures of 2019695 via cif-deposit CGI script. |
2019695.cif 2019695.hkl |
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