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Information card for entry 4122871
Preview
Coordinates | 4122871.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H61 Cl4 Li N3 O7 Rh3 |
---|---|
Calculated formula | C42 H57 Cl4 Li N3 O6 Rh3 |
SMILES | [Rh]12345(Cl)(n6c([n]7[Rh]89%10%11(Cl)([O]=C%12O[Li](OC(=[O]1)c6c7%12)([OH]C)[OH]C)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)c1c[n]([Rh]6789(Cl)(Cl)[c]%10([c]6([c]7([c]8([c]9%10C)C)C)C)C)ccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
Title of publication | Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands. |
Authors of publication | Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 44 |
Pages of publication | 15521 - 15524 |
a | 7.9644 ± 0.0007 Å |
b | 15.4104 ± 0.0014 Å |
c | 21.4544 ± 0.0019 Å |
α | 104.205 ± 0.001° |
β | 97.878 ± 0.001° |
γ | 103.111 ± 0.001° |
Cell volume | 2433.8 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0432 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.127 |
Weighted residual factors for all reflections included in the refinement | 0.1435 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
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/4122871.html
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Users of the data should acknowledge the original authors of the
structural data.