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Information card for entry 4107138
Preview
Coordinates | 4107138.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H21 Cl2 F6 N6 O P Ru |
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Calculated formula | C24 H21 Cl2 F6 N6 O3 P Ru |
SMILES | [n]12ccccc1C[N]13Cc4[n](cccc4)[Ru]423([n]2c(C1)cccc2NC(c1cc(ncc1)Cl)=[O]4)Cl.[P](F)(F)(F)(F)(F)[F-].O.O |
Title of publication | Proton-Coupled Electron Shuttling in a Covalently Linked Ruthenium-Copper Heterodinuclear Complex |
Authors of publication | Tomoya Ishizuka; Kengo Tobita; Yuichi Yano; Yoshihito Shiota; Kazunari Yoshizawa; Shunichi Fukuzumi; Takahiko Kojima |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 18570 - 18573 |
a | 8.8202 ± 0.0016 Å |
b | 12.356 ± 0.002 Å |
c | 14.331 ± 0.003 Å |
α | 85.144 ± 0.003° |
β | 79.217 ± 0.003° |
γ | 70.279 ± 0.002° |
Cell volume | 1443.9 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0916 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.132 |
Weighted residual factors for all reflections included in the refinement | 0.1518 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4107138.html
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