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Information card for entry 2234360
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| Coordinates | 2234360.cif |
|---|---|
| Structure factors | 2234360.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(azido-κ<i>N</i>)bis[6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine- κ^2^<i>N</i>^1^,<i>N</i>^6^]manganese(II) |
|---|---|
| Formula | C16 H16 Mn N18 |
| Calculated formula | C16 H16 Mn N18 |
| SMILES | c1cccc2c3[n]([Mn]4([n]12)(N=N#N)([n]1ccccc1c1nc(nc([n]41)N)N)N=N#N)c(nc(n3)N)N |
| Title of publication | Bis(azido-κ<i>N</i>)bis[6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine-κ^2^<i>N</i>^1^,<i>N</i>^6^]manganese(II) |
| Authors of publication | Wang, Kun-Miao; Liu, Zhi-Hua; Zheng, Qi; Liu, Chun-Bo; Miao, Ming-Ming |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m427 |
| a | 18.33 ± 0.003 Å |
| b | 14.412 ± 0.003 Å |
| c | 9.1915 ± 0.0017 Å |
| α | 90° |
| β | 115.044 ± 0.002° |
| γ | 90° |
| Cell volume | 2199.9 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0955 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181265 (current) | 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 2/23/43. |
2234360.cif 2234360.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2234360.cif 2234360.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234360.cif 2234360.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. | 2234360.cif 2234360.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234360.cif 2234360.hkl |
| 55632 | 2012-05-05 | cif/ Adding structures of 2234360 via cif-deposit CGI script. |
2234360.cif |
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Users of the data should acknowledge the original authors of the
structural data.