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Information card for entry 2018801
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| Coordinates | 2018801.cif |
|---|---|
| Structure factors | 2018801.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>S</i>)platinum(IV) bis(perchlorate) 1.5-hydrate |
|---|---|
| Formula | C6 H19 Cl2 N6 O9.5 Pt S2 |
| Calculated formula | C6 H19 Cl2 N6 O9.5 Pt S2 |
| SMILES | [Pt]12(SC#N)(SC#N)([NH2]CC[NH2]1)[NH2]CC[NH2]2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O |
| Title of publication | A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine) |
| Authors of publication | Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | 146 - 149 |
| a | 30.515 ± 0.002 Å |
| b | 8.3572 ± 0.0009 Å |
| c | 7.443 ± 0.0007 Å |
| α | 90° |
| β | 96.507 ± 0.003° |
| γ | 90° |
| Cell volume | 1885.9 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0213 |
| Residual factor for significantly intense reflections | 0.02 |
| Weighted residual factors for significantly intense reflections | 0.0407 |
| Weighted residual factors for all reflections included in the refinement | 0.0416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.839 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180857 (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 2/01/88. |
2018801.cif 2018801.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2018801.cif 2018801.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. | 2018801.cif 2018801.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2018801.cif 2018801.hkl |
| 75449 | 2013-03-09 | cif/ Adding structures of 2018800, 2018801 via cif-deposit CGI script. |
2018801.cif |
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