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Information card for entry 7117454
Preview
Coordinates | 7117454.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C108 H102 B0 Cl0 Cu4 F0 N12 P4 |
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Calculated formula | C108 H102 Cu4 N12 P4 |
SMILES | [n]12c(C3=C4CCCCC4=C([P]3(c3ccccc3)[Cu]34([Cu]52([N]#CC)[n]2c(C6=C7CCCCC7=C(c7[n]3cccc7)P456c3ccccc3)cccc2)[N]#CCCCCCCC#[N][Cu]234[n]5c(C6=C7C(=C8P26(c2ccccc2)[Cu]4([n]2c8cccc2)([n]2c(C4=C6CCCCC6=C([P]34c3ccccc3)c3ncccc3)cccc2)[N]#CC)CCCC7)cccc5)c2ncccc2)cccc1 |
Title of publication | Supramolecular metallacycles with a 'pseudo double-paracyclophane' structure based on flexible π-conjugated linkers. |
Authors of publication | Shen, W.; El Sayed Moussa, M.; Yao, Y.; Lescop, C. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 58 |
Pages of publication | 11560 - 11563 |
a | 25.7551 ± 0.0014 Å |
b | 20.5086 ± 0.0008 Å |
c | 24.6987 ± 0.0014 Å |
α | 90° |
β | 95.409 ± 0.002° |
γ | 90° |
Cell volume | 12987.8 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
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 | 0.1053 |
Residual factor for significantly intense reflections | 0.066 |
Weighted residual factors for significantly intense reflections | 0.1768 |
Weighted residual factors for all reflections included in the refinement | 0.1932 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9 |
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/7117454.html
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