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Information card for entry 7038813
Preview
Coordinates | 7038813.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H40 F12 O10 Ru2 |
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Calculated formula | C36 H40 F12 O10 Ru2 |
SMILES | C1(c2c(C(F)(F)F)cccc2C(F)(F)F)=[O][Ru]234([O]=C(O[Ru]4(O1)([O]=C(c1c(C(F)(F)F)cccc1C(F)(F)F)O2)([O]=C(O3)CCCC)[O]1CCCC1)CCCC)[O]1CCCC1 |
Title of publication | trans-Heteroleptic carboxylate-bridged paddlewheel diruthenium(ii, ii) complexes with 2,6-bis(trifluoromethyl)benzoate ligands. |
Authors of publication | Sekine, Yoshihiro; Kosaka, Wataru; Kano, Hirohisa; Dou, Changxiao; Yokoyama, Taiga; Miyasaka, Hitoshi |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 17 |
Pages of publication | 7427 - 7434 |
a | 10.2128 ± 0.0018 Å |
b | 19.643 ± 0.003 Å |
c | 10.2777 ± 0.0017 Å |
α | 90° |
β | 106.857 ± 0.004° |
γ | 90° |
Cell volume | 1973.2 ± 0.6 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0452 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.0812 |
Weighted residual factors for all reflections included in the refinement | 0.085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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