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Information card for entry 2230111
Preview
Coordinates | 2230111.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Tetrakis(μ-3-methoxybenzoato- κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis[acetonitrilecopper(II)] |
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Formula | C36 H34 Cu2 N2 O12 |
Calculated formula | C36 H34 Cu2 N2 O12 |
SMILES | [N](#CC)[Cu]1234[O]=C(c5cc(ccc5)OC)O[Cu]4([N]#CC)([O]=C(c4cc(ccc4)OC)O1)(OC(c1cc(OC)ccc1)=[O]3)[O]=C(c1cc(OC)ccc1)O2 |
Title of publication | Tetrakis(μ-3-methoxybenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis[acetonitrilecopper(II)] |
Authors of publication | Kar, Sanjib; Garai, Antara; Bala, Sukhen; Purohit, Chandra Shekhar |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | m557 |
a | 7.2117 ± 0.0007 Å |
b | 19.6502 ± 0.0003 Å |
c | 12.6186 ± 0.0009 Å |
α | 90° |
β | 90.016 ± 0.009° |
γ | 90° |
Cell volume | 1788.2 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0591 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.0883 |
Weighted residual factors for all reflections included in the refinement | 0.1008 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
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/2230111.html
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