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Information card for entry 4314921
Preview
| Coordinates | 4314921.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H34 Cl17 Fe N6 O2 Ru2 |
|---|---|
| Calculated formula | C52 H34 Cl17 Fe N6 O2 Ru2 |
| SMILES | [Ru]1234([Ru]([O]=C(O1)[c]15[Fe]6789%10%11%12([cH]1[cH]6[cH]7[cH]58)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)([N](=CN2c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)(N(C=[N]3c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)[N](=CN4c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)Cl.ClCCl.ClCCl |
| Title of publication | Fc-Fc Electronic Interaction through Equatorial Pathways of a Diruthenium Core |
| Authors of publication | Darryl A. Boyd; Robert J. Crutchley; Phillip E. Fanwick; Tong Ren |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 1322 - 1324 |
| a | 11.0193 ± 0.0007 Å |
| b | 13.2813 ± 0.0012 Å |
| c | 23.3502 ± 0.0014 Å |
| α | 92.435 ± 0.007° |
| β | 101.542 ± 0.005° |
| γ | 114.358 ± 0.005° |
| Cell volume | 3020.1 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.02 K |
| Ambient diffraction temperature | 150 ± 0.02 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.072 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.167 |
| Weighted residual factors for all reflections included in the refinement | 0.176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CU-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288193 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9828. This change affected only the misspelt variants of the '_exptl_absorpt_process_details' data name. |
4314921.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4314921.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314921.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314921.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4314921.cif |
| 8064 | 2011-02-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4314921 via cif-deposit CGI script. |
4314921.cif |
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