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Information card for entry 4312186
Preview
| Coordinates | 4312186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H52 Cl F3 N7 O4 Ru S |
|---|---|
| Calculated formula | C34 H51 Cl F3 N7 O4 Ru S |
| SMILES | [Ru]123(Cl)([OH2])[N](Cc4[n]1c(NCC(C)(C)C)ccc4)(Cc1[n]2c(NCC(C)(C)C)ccc1)Cc1[n]3c(NCC(C)(C)C)ccc1.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites |
| Authors of publication | Jitsukawa, Koichiro; Oka, Yoshiyuki; Yamaguchi, Syuhei; Masuda, Hideki |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Journal issue | 25 |
| Pages of publication | 8119 - 8129 |
| a | 22.457 ± 0.004 Å |
| b | 23.066 ± 0.006 Å |
| c | 16.692 ± 0.002 Å |
| α | 90° |
| β | 95.99 ± 0.01° |
| γ | 90° |
| Cell volume | 8599 ± 3 Å3 |
| Cell temperature | 288.2 K |
| Number of distinct elements | 8 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.1748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210303 (current) | 2018-09-01 | cif/4/ Updating bibliography in entries 4312186, 4331480. Marking entry 4331480 as a duplicate of entry 4312186. |
4312186.cif |
| 193981 | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
4312186.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. |
4312186.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312186.cif |
| 35915 | 2012-02-29 | cif/4 Fixing formula and Z values for several entries. Also some obviously aberrant coordinates in 4321024.cif have been fixed by changing their sign which results in a logical chemical connectivity. |
4312186.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312186.cif |
| 3691 | 2010-11-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4312186 via cif-deposit CGI script. |
4312186.cif |
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Users of the data should acknowledge the original authors of the
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