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Information card for entry 7052158
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Coordinates | 7052158.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 8 |
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Formula | C38 H48 Cl4 Cu2 N8 O3 |
Calculated formula | C38 H48 Cl4 Cu2 N8 O3 |
SMILES | c1cn2c(C)[n]1[Cu](Cl)(Cl)[n]1ccn(Cc3ccc(Cn4cc[n](c4C)[Cu](Cl)(Cl)[n]4ccn(Cc5ccc(C2)cc5)c4C)cc3)c1C.O1CCOCC1.C1COCCO1 |
Title of publication | The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles |
Authors of publication | Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour |
Journal of publication | New Journal of Chemistry |
Year of publication | 2007 |
Journal volume | 31 |
Journal issue | 5 |
Pages of publication | 669 |
a | 8.6006 ± 0.0017 Å |
b | 13.126 ± 0.003 Å |
c | 17.942 ± 0.004 Å |
α | 87.547 ± 0.004° |
β | 87.705 ± 0.004° |
γ | 81.627 ± 0.004° |
Cell volume | 2000.9 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1327 |
Residual factor for significantly intense reflections | 0.0879 |
Weighted residual factors for significantly intense reflections | 0.1568 |
Weighted residual factors for all reflections included in the refinement | 0.1733 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
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/7052158.html
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