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Information card for entry 7014568
Preview
| Coordinates | 7014568.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H68 F12 N4 O10 Ru2 |
|---|---|
| Calculated formula | C70 H68 F12 N4 O10 Ru2 |
| SMILES | C1(c2cc(c(c(c2)F)F)F)=[O][Ru]234([N](c5ccc(cc5)Cc5ccc(N(C)C)cc5)(C)C)[O]=C(c5cc(F)c(F)c(c5)F)O[Ru]4(O1)([N](c1ccc(cc1)Cc1ccc(N(C)C)cc1)(C)C)([O]=C(c1cc(c(c(c1)F)F)F)O2)[O]=C(c1cc(F)c(F)c(F)c1)O3.O1CCCC1.O1CCCC1 |
| Title of publication | Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands. |
| Authors of publication | Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 3 |
| Pages of publication | 673 - 682 |
| a | 12.153 ± 0.005 Å |
| b | 20.238 ± 0.008 Å |
| c | 13.955 ± 0.006 Å |
| α | 90° |
| β | 109.579 ± 0.005° |
| γ | 90° |
| Cell volume | 3234 ± 2 Å3 |
| Cell temperature | 93.1 K |
| Ambient diffraction temperature | 93.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7014568.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014568.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014568.cif |
| 14792 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014560, 7014561, 7014562, 7014563, 7014564, 7014565, 7014566, 7014567, 7014568, 7014569, 7014570, 7014571, 7014572, 7014573, 7014574, 7014575 via cif-deposit CGI script. |
7014568.cif |
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