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Information card for entry 7015517
Preview
Coordinates | 7015517.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | bis(2-chloro-3-methylpyridine)dibromocopper (II) |
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Formula | C12 H12 Br2 Cl2 Cu N2 |
Calculated formula | C12 H12 Br2 Cl2 Cu N2 |
SMILES | c1(c(ccc[n]1[Cu](Br)([n]1c(c(ccc1)C)Cl)Br)C)Cl |
Title of publication | Copper(II) complexes of 2-halo-3-methylpyridine: synthesis, structure, and magnetic behaviour of Cu(2-X-3-CH(3)py)2X'2 [X, X' = chlorine or bromine; py = pyridine]. |
Authors of publication | Herringer, Susan N.; Turnbull, Mark M.; Landee, Christopher P.; Wikaira, Jan L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 16 |
Pages of publication | 4242 - 4252 |
a | 6.0949 ± 0.0002 Å |
b | 7.4718 ± 0.0003 Å |
c | 9.5654 ± 0.0005 Å |
α | 104.579 ± 0.003° |
β | 91.809 ± 0.003° |
γ | 112.825 ± 0.002° |
Cell volume | 384.47 ± 0.03 Å3 |
Cell temperature | 111 ± 2 K |
Ambient diffraction temperature | 111 ± 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 | 0.023 |
Residual factor for significantly intense reflections | 0.02 |
Weighted residual factors for significantly intense reflections | 0.049 |
Weighted residual factors for all reflections included in the refinement | 0.0502 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/7015517.html
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Users of the data should acknowledge the original authors of the
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