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Information card for entry 7005302
Preview
Coordinates | 7005302.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H40 Cl16 Cu4 N16 |
---|---|
Calculated formula | C72 H40 Cl16 Cu4 N16 |
SMILES | c12ccc3C=[N](c4cc(cc(c4)Cl)Cl)[Cu]45[n]3[n]1[Cu]1([N](=C2)c2cc(cc(c2)Cl)Cl)[n]2c(ccc3C=[N](c6cc(cc(c6)Cl)Cl)[Cu]6([n]7c(ccc8[n]7[Cu]7([n]9c(ccc(C=[N]5c5cc(cc(c5)Cl)Cl)[n]49)C=[N]7c4cc(cc(c4)Cl)Cl)[N](=C8)c4cc(cc(c4)Cl)Cl)C=[N]6c4cc(cc(c4)Cl)Cl)[n]23)C=[N]1c1cc(cc(c1)Cl)Cl |
Title of publication | Pyridazine-bridged copper(I) complexes of bis-bidentate ligands: tetranuclear [2 x 2] grid versus dinuclear side-by-side architectures as a function of ligand substituents. |
Authors of publication | Price, Jason R.; Lan, Yanhua; Brooker, Sally |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 18 |
Pages of publication | 1807 - 1820 |
a | 20.4033 ± 0.0007 Å |
b | 13.4597 ± 0.0004 Å |
c | 21.0965 ± 0.0007 Å |
α | 90° |
β | 93.697 ± 0.002° |
γ | 90° |
Cell volume | 5781.5 ± 0.3 Å3 |
Cell temperature | 83 ± 2 K |
Ambient diffraction temperature | 83 ± 2 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0777 |
Residual factor for significantly intense reflections | 0.0519 |
Weighted residual factors for significantly intense reflections | 0.1418 |
Weighted residual factors for all reflections included in the refinement | 0.1511 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/7005302.html
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Users of the data should acknowledge the original authors of the
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