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Information card for entry 4118382
Preview
Coordinates | 4118382.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C162 H234 N18 O75 P12 Pt6 S12 |
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Calculated formula | C150 H54 N18 O75 P12 Pt6 S12 |
SMILES | c1cc2cc[n]1[Pt]([n]1ccc(cc1)c1c3SC4=C5Sc6c(S5)c5[nH]c6c6cc[n](cc6)[Pt]([n]6ccc(c7c8SC9=C%10Sc%11c([nH]c2c%11S%10)c2cc[n](cc2)[Pt]([n]2ccc(c%10c%11c(SC(=C%12Sc%13c(S%12)c([nH]c%13c%12cc[n](cc%12)[Pt]([n]%12ccc(c([nH]7)c8S9)cc%12)([P](CC)(CC)CC)[P](CC)(CC)CC)c7cc[n](cc7)[Pt]([n]7ccc5cc7)([P](CC)(CC)CC)[P](CC)(CC)CC)S%11)c(c5cc[n](cc5)[Pt]([n]5ccc(cc5)c([nH]1)c3S4)([P](CC)(CC)CC)[P](CC)(CC)CC)[nH]%10)cc2)([P](CC)(CC)CC)[P](CC)(CC)CC)cc6)([P](CC)(CC)CC)[P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | A Metal-Directed Self-Assembled Electroactive Cage with Bis(pyrrolo)tetrathiafulvalene (BPTTF) Side Walls |
Authors of publication | Sébastien Bivaud; Jean-Yves Balandier; Marcos Chas; Magali Allain; Sébastien Goeb; Marc Sallé |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 11968 - 11970 |
a | 41.62 ± 0.01 Å |
b | 34.203 ± 0.004 Å |
c | 19.61 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 27915 ± 16 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for significantly intense reflections | 0.1862 |
Weighted residual factors for all reflections included in the refinement | 0.5863 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.927 |
Diffraction radiation probe | x-ray |
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/4118382.html
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Users of the data should acknowledge the original authors of the
structural data.