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Information card for entry 2233216
Preview
| Coordinates | 2233216.cif |
|---|---|
| Structure factors | 2233216.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (2,2'-Bipyridine-4,4'-dicarboxylic acid-κ^2^<i>N</i>,<i>N</i>')chlorido(2,2':6',2''-terpyridyl- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) perchlorate ethanol monosolvate monohydrate |
|---|---|
| Formula | C29 H27 Cl2 N5 O10 Ru |
| Calculated formula | C29 H27 Cl2 N5 O10 Ru |
| Title of publication | (2,2'-Bipyridine-4,4'-dicarboxylic acid-κ^2^<i>N</i>,<i>N</i>')chlorido(2,2':6',2''-terpyridyl-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) perchlorate ethanol monosolvate monohydrate |
| Authors of publication | Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m77 - m78 |
| a | 8.7132 ± 0.0005 Å |
| b | 11.9207 ± 0.0007 Å |
| c | 15.9015 ± 0.0008 Å |
| α | 90.913 ± 0.002° |
| β | 104.11 ± 0.002° |
| γ | 97.677 ± 0.002° |
| Cell volume | 1585.44 ± 0.15 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2233216.cif 2233216.hkl |
| 181254 | 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 2/23/32. |
2233216.cif 2233216.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. |
2233216.cif 2233216.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233216.cif 2233216.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. | 2233216.cif 2233216.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233216.cif 2233216.hkl |
| 32275 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233216 via cif-deposit CGI script. |
2233216.cif |
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Users of the data should acknowledge the original authors of the
structural data.