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Information card for entry 4324007
Preview
Coordinates | 4324007.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H23 Br2 Cu N5 O2 |
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Calculated formula | C20 H23 Br2 Cu N5 O2 |
SMILES | [Cu]12(Br)(Br)[n]3c4ccccc4[nH]c3C[O]1Cc1[n]2c2c(n1C)cccc2.O=CN(C)C |
Title of publication | A Route to Bis(benzimidazole) Ligands with Built-In Asymmetry: Potential Models of Protein Binding Sites Having Histidines of Different Basicity |
Authors of publication | Craig J. Matthews; Troy A. Leese; William Clegg; Mark R. J. Elsegood; Lynne Horsburgh; Joyce C. Lockhart |
Journal of publication | Inorganic Chemistry |
Year of publication | 1996 |
Journal volume | 35 |
Pages of publication | 7563 - 7571 |
a | 8.3348 ± 0.0011 Å |
b | 18.165 ± 0.002 Å |
c | 14.14 ± 0.002 Å |
α | 90° |
β | 91.646 ± 0.003° |
γ | 90° |
Cell volume | 2139.9 ± 0.5 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0646 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for all reflections | 0.0869 |
Weighted residual factors for significantly intense reflections | 0.0766 |
Goodness-of-fit parameter for all reflections | 1.026 |
Goodness-of-fit parameter for significantly intense reflections | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4324007.html
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