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Information card for entry 7108854
Preview
| Coordinates | 7108854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H34 F4 N4 O12 Ru2 |
|---|---|
| Calculated formula | C52 H34 F4 N4 O12 Ru2 |
| SMILES | [Ru]1234([n]5c6ccccc6[n](c6ccccc56)[Ru]5678[Ru]([n]9c%10ccccc%10nc%10ccccc9%10)([O]=C(c9ccc(cc9)F)O6)(OC(c6ccc(F)cc6)=[O]8)([O]=C(c6ccc(cc6)F)O5)OC(c5ccc(F)cc5)=[O]7)[O]=C(c5ccc(cc5)F)O[Ru]2([O]=C(c2ccc(cc2)F)O3)(OC(c2ccc(F)cc2)=[O]4)[O]=C(c2ccc(F)cc2)O1.O=N(=O)c1ccccc1.N(=O)(=O)c1ccccc1.O=N(=O)c1ccccc1.N(=O)(=O)c1ccccc1 |
| Title of publication | CO2 superabsorption in a paddlewheel-type Ru dimer chain compound: gate-open performance dependent on inter-chain interactions. |
| Authors of publication | Kosaka, Wataru; Yamagishi, Kayo; Yoshida, Hiroki; Matsuda, Ryotaro; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 16 |
| Pages of publication | 1594 - 1596 |
| a | 10.064 ± 0.003 Å |
| b | 11.778 ± 0.004 Å |
| c | 20.097 ± 0.006 Å |
| α | 90° |
| β | 91.221 ± 0.005° |
| γ | 90° |
| Cell volume | 2381.6 ± 1.3 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.2245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.249 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301853 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
7108854.cif |
| 210728 | 2018-09-10 | cif/7/ Updating bibliography in entries 7108851-7108854, 7112361-7112364. Marking entries 7112361-7112364 as duplicates of entries 7108851-7108854. |
7108854.cif |
| 180192 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/88. |
7108854.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7108854.cif |
| 72860 | 2013-01-31 | cif/ Adding structures of 7108851, 7108852, 7108853, 7108854 via cif-deposit CGI script. |
7108854.cif |
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Users of the data should acknowledge the original authors of the
structural data.