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Information card for entry 7104332
Preview
Coordinates | 7104332.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59 H45 F6 N9 O6 Pb S2 |
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Calculated formula | C59 H45 F6 N9 O6 Pb S2 |
SMILES | [Pb]123456([n]7c(cccc7C=[N]1c1ccccc1)C=[N]2c1ccccc1)([n]1c(cccc1C=[N]3c1ccccc1)C=[N]4c1ccccc1)([n]1c(cccc1C=[N]5c1ccccc1)C=[N]6c1ccccc1).S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Self-sorting of equilibrating metallosupramolecular DCLs via constitutional crystallization. |
Authors of publication | Barboiu, Mihail; Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 34 |
Journal issue | 16 |
Pages of publication | 2192 - 2194 |
a | 21.7258 ± 0.00013 Å |
b | 10.8837 ± 0.0005 Å |
c | 23.8728 ± 0.0006 Å |
α | 90° |
β | 103.488 ± 0.004° |
γ | 90° |
Cell volume | 5489.2 ± 0.3 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 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 | 0.0286 |
Residual factor for significantly intense reflections | 0.0209 |
Weighted residual factors for all reflections | 0.0204 |
Weighted residual factors for significantly intense reflections | 0.0202 |
Weighted residual factors for all reflections included in the refinement | 0.0202 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0782 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7104332.html
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