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Information card for entry 2229534
Preview
Coordinates | 2229534.cif |
---|---|
Structure factors | 2229534.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[2,6-bis(2-methoxyphenyl)pyridinium] di-μ-bromido-bis[dibromidocuprate(II)] |
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Formula | C38 H36 Br6 Cu2 N2 O4 |
Calculated formula | C38 H36 Br6 Cu2 N2 O4 |
SMILES | c1(cccc([nH+]1)c1c(OC)cccc1)c1c(cccc1)OC.[Br]1[Cu]([Br][Cu]1(Br)Br)(Br)Br.c1(cccc([nH+]1)c1c(OC)cccc1)c1c(cccc1)OC |
Title of publication | Bis[2,6-bis(2-methoxyphenyl)pyridinium] di-μ-bromido-bis[dibromidocuprate(II)] |
Authors of publication | Sangtrirutnugul, Preeyanuch; Haesuwannakij, Setsiri; Sooksimuang, Thanasat; Prabpai, Samran; Kongsaeree, Palangpon |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 3 |
Pages of publication | m299 - m300 |
a | 11.5329 ± 0.0001 Å |
b | 17.0104 ± 0.0004 Å |
c | 21.0021 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4120.18 ± 0.14 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.065 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.0957 |
Weighted residual factors for all reflections included in the refinement | 0.1042 |
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/2229534.html
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