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Information card for entry 4313718
Preview
Coordinates | 4313718.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H53 Cl7 N3 Na O8 Ru3 |
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Calculated formula | C46 H49 Cl7 N3 Na O8 Ru3 |
SMILES | c12c3cc(Cl)c[n]1[Ru]145678([c]9([cH]1[cH]4[c]5([cH]6[cH]79)C(C)C)C)[O]1[Na]4([O]2[Ru]25679(O3)([c]3([cH]2[cH]5[c]6([cH]7[cH]93)C(C)C)C)[n]2c3[O]4[Ru]45679([cH]%10[cH]4[c]5([cH]9[cH]7[c]6%10C)C(C)C)([n]4c1c(cc(Cl)c4)[O]8)[O]c3cc(Cl)c2)Cl.O.C(Cl)(Cl)Cl.O |
Title of publication | Electronic Effects in 12-Metallacrown-3 Complexes. A Theoretical and Experimental Study |
Authors of publication | Marie-Line Lehaire; Axel Schulz; Rosario Scopelliti; Kay Severin |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 3576 - 3581 |
a | 19.957 ± 0.005 Å |
b | 16.444 ± 0.004 Å |
c | 32.834 ± 0.004 Å |
α | 90° |
β | 105.586 ± 0.015° |
γ | 90° |
Cell volume | 10379 ± 4 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0875 |
Residual factor for significantly intense reflections | 0.0613 |
Weighted residual factors for significantly intense reflections | 0.1656 |
Weighted residual factors for all reflections included in the refinement | 0.1858 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4313718.html
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Users of the data should acknowledge the original authors of the
structural data.