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Information card for entry 7104876
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7104876.cif |
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Original paper (by DOI) | HTML |
Formula | C76 H86 Cl2 Cu2 N8 O4 |
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Calculated formula | C76 H86 Cl2 Cu2 N8 O4 |
SMILES | [Cl-].[Cl-].[Cu]123[n]4c(CO)cccc4C=[N]1c1c(cc(cc1CC)Cc1cc(c(c(c1)CC)[N]1[Cu]4([n]5c(C=1)cccc5CO)[N](c1c(cc(Cc5cc(c([N]3=Cc3[n]2c(CO)ccc3)c(c5)CC)CC)cc1CC)CC)=Cc1[n]4c(ccc1)CO)CC)CC.c1ccccc1 |
Title of publication | Aggregation of metallo-supramolecular architectures by metallo-assembled hydrogen bonding sites |
Authors of publication | Lavalette, Arnaud; Tuna, Floriana; Clarkson, Guy; Alcock, Nathaniel W.; Hannon, Michael J. |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2003 |
Journal issue | 21 |
Pages of publication | 2666 - 2667 |
a | 15.355 ± 0.005 Å |
b | 16.454 ± 0.005 Å |
c | 16.555 ± 0.005 Å |
α | 115.86 ± 0.007° |
β | 95.746 ± 0.009° |
γ | 110.08 ± 0.007° |
Cell volume | 3377 ± 1.9 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 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 | 0.2953 |
Residual factor for significantly intense reflections | 0.1391 |
Weighted residual factors for significantly intense reflections | 0.3213 |
Weighted residual factors for all reflections included in the refinement | 0.4035 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
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/7104876.html
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Users of the data should acknowledge the original authors of the
structural data.