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Information card for entry 7024442
Preview
Coordinates | 7024442.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H55 Br4 Cl3 Cu N4 |
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Calculated formula | C49 H55 Br4 Cl3 Cu N4 |
SMILES | [Cu]1(Br)(Br)[n]2cn(Cc3c(c4c(c(c3C)Cc3c(c(Br)c(c(c3C)Cc3c(c(c(c(c3C)Cc3c(c(Br)c(c(c3C)C4)C)C)C)Cn3c[n]1cc3)C)C)C)C)C)cc2.C(Cl)(Cl)Cl |
Title of publication | Molecular tectonics: formation and structural studies on a 2-D directional coordination network based on a non-centric metacyclophane based tecton and zinc cation. |
Authors of publication | Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 8 |
Pages of publication | 2137 - 2146 |
a | 11.4322 ± 0.0003 Å |
b | 14.6136 ± 0.0003 Å |
c | 15.3801 ± 0.0004 Å |
α | 91.879 ± 0.001° |
β | 93.162 ± 0.001° |
γ | 109.717 ± 0.001° |
Cell volume | 2411.54 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0868 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1131 |
Weighted residual factors for all reflections included in the refinement | 0.13 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
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/7024442.html
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Users of the data should acknowledge the original authors of the
structural data.