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Information card for entry 2236659
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| Coordinates | 2236659.cif |
|---|---|
| Structure factors | 2236659.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Dichloridotetrapyrazineruthenium(II) dichloromethane disolvate |
|---|---|
| Formula | C18 H20 Cl6 N8 Ru |
| Calculated formula | C18 H20 Cl6 N8 Ru |
| SMILES | C(Cl)Cl.[Ru]([n]1ccncc1)([n]1ccncc1)(Cl)([n]1ccncc1)([n]1ccncc1)Cl.C(Cl)Cl |
| Title of publication | <i>trans</i>-Dichloridotetrapyrazineruthenium(II) dichloromethane disolvate |
| Authors of publication | Nesterov, Vladimir N.; Khan, Wajiha; Rangel, Alexandra E.; Smucker, Bradley W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | m1193 |
| a | 7.3059 ± 0.0002 Å |
| b | 7.3059 ± 0.0002 Å |
| c | 47.3659 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2528.21 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 98 |
| Hermann-Mauguin space group symbol | I 41 2 2 |
| Hall space group symbol | I 4bw 2bw |
| Residual factor for all reflections | 0.0168 |
| Residual factor for significantly intense reflections | 0.0162 |
| Weighted residual factors for significantly intense reflections | 0.0398 |
| Weighted residual factors for all reflections included in the refinement | 0.0402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181288 (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 2/23/66. |
2236659.cif 2236659.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236659.cif 2236659.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236659.cif 2236659.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. | 2236659.cif 2236659.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236659.cif 2236659.hkl |
| 70254 | 2012-12-21 | cif/ Adding structures of 2236659 via cif-deposit CGI script. |
2236659.cif |
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Users of the data should acknowledge the original authors of the
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