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Information card for entry 2013118
Preview
Coordinates | 2013118.cif |
---|---|
Structure factors | 2013118.hkl |
Original IUCr paper | HTML |
Chemical name | Hexa-μ-chloro-μ~4~-oxo-tetrakis{[5-(2,4,6-trimethylphenyl)pyrazole- κN^2^]copper(II)} |
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Formula | C48 H56 Cl6 Cu4 N8 O |
Calculated formula | C48 H56 Cl6 Cu4 N8 O |
SMILES | c1(cc[n]([nH]1)[Cu]123[O]45[Cu]6([n]7ccc(c8c(C)cc(cc8C)C)[nH]7)([Cl]2)[Cl][Cu]5([Cl]3)([Cl][Cu]4([Cl]1)([n]1ccc(c2c(cc(cc2C)C)C)[nH]1)[Cl]6)[n]1ccc(c2c(cc(cc2C)C)C)[nH]1)c1c(cc(cc1C)C)C |
Title of publication | Hexa-μ-chloro-μ~4~-oxo-tetrakis{[5-(2,4,6-trimethylphenyl)pyrazole-κ<i>N</i>^2^]copper(II)} |
Authors of publication | Liu, Xiao-Ming; Kilner, Colin A.; Halcrow, Malcolm A. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2003 |
Journal volume | 59 |
Journal issue | 3 |
Pages of publication | m100 - m102 |
a | 21.6279 ± 0.0002 Å |
b | 11.8266 ± 0.0001 Å |
c | 20.8023 ± 0.0003 Å |
α | 90° |
β | 96.4448 ± 0.0005° |
γ | 90° |
Cell volume | 5287.28 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.046 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.094 |
Weighted residual factors for all reflections included in the refinement | 0.102 |
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 | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2013118.html
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