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Information card for entry 7105530
Preview
Coordinates | 7105530.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H44 Cd2 Cl8 N12 O16 S4 |
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Calculated formula | C64 H40 Cd2 Cl4 N12 O16 S4 |
SMILES | c12cccc3[n]2[Cd]245([n]6c1scc6c1cc(ccc1)c1csc6c7cccc8c9cccc[n]9[Cd]9%10([n]16)([n]1c(c6cccc(c%11cccc[n]%10%11)[n]96)scc1c1cc(c6csc(c9cccc(c%10cccc[n]2%10)[n]49)[n]56)ccc1)[n]78)[n]1c3cccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication | Controlling the formation of metallosupramolecular assemblies by metal ionic radii |
Authors of publication | Bain, Lindsay; Bullock, Sam; Harding, Lindsay; Riis-Johannessen, T.; Midgley, Gary; Rice, Craig R.; Whitehead, Martina |
Journal of publication | Chemical Communications |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 20 |
Pages of publication | 3496 |
a | 24.3339 ± 0.0008 Å |
b | 12.1082 ± 0.0004 Å |
c | 28.2739 ± 0.0012 Å |
α | 90° |
β | 112.789 ± 0.001° |
γ | 90° |
Cell volume | 7680.3 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0676 |
Residual factor for significantly intense reflections | 0.0586 |
Weighted residual factors for significantly intense reflections | 0.1606 |
Weighted residual factors for all reflections included in the refinement | 0.1648 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/7105530.html
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Users of the data should acknowledge the original authors of the
structural data.