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Information card for entry 7108853
Preview
| Coordinates | 7108853.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Ru2(p-F-PhCO2)4(phz)) |
|---|---|
| Formula | C40 H24 F4 N2 O8 Ru2 |
| Calculated formula | C40 H24 F4 N2 O8 Ru2 |
| SMILES | [Ru]1234([n]5c6ccccc6nc6ccccc56)[O]=C(c5ccc(cc5)F)O[Ru]2([O]=C(c2ccc(F)cc2)O1)(OC(c1ccc(cc1)F)=[O]3)([O]=C(c1ccc(F)cc1)O4)[n]1c2ccccc2[n]([Ru]2345[O]=C(c6ccc(cc6)F)O[Ru]3([O]=C(c3ccc(F)cc3)O2)(OC(c2ccc(cc2)F)=[O]4)[O]=C(c2ccc(F)cc2)O5)c2ccccc12 |
| 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 | 9.9825 ± 0.0008 Å |
| b | 10.9906 ± 0.0008 Å |
| c | 11.4527 ± 0.0007 Å |
| α | 65.866 ± 0.005° |
| β | 66.143 ± 0.006° |
| γ | 65.088 ± 0.007° |
| Cell volume | 998.22 ± 0.14 Å3 |
| Cell temperature | 195 ± 1 K |
| Ambient diffraction temperature | 195 ± 1 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 | 0.00901 |
| RFsqd | 0.00901 |
| Residual factor R(I) for significantly intense reflections | 0.01905 |
| Goodness-of-fit parameter for all reflections | 4.1355 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.79902 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210728 (current) | 2018-09-10 | cif/7/ Updating bibliography in entries 7108851-7108854, 7112361-7112364. Marking entries 7112361-7112364 as duplicates of entries 7108851-7108854. |
7108853.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. |
7108853.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7108853.cif |
| 72860 | 2013-01-31 | cif/ Adding structures of 7108851, 7108852, 7108853, 7108854 via cif-deposit CGI script. |
7108853.cif |
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Users of the data should acknowledge the original authors of the
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