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Information card for entry 7024440
Preview
Coordinates | 7024440.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H55 Br4 Cl3 Co N4 |
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Calculated formula | C49 H55 Br4 Cl3 Co N4 |
SMILES | [Co]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 | 11.548 ± 0.0002 Å |
b | 14.7042 ± 0.0003 Å |
c | 15.2422 ± 0.0003 Å |
α | 92.5061 ± 0.0009° |
β | 92.905 ± 0.0008° |
γ | 110.07 ± 0.001° |
Cell volume | 2422.73 ± 0.08 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 | 0.0854 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1209 |
Weighted residual factors for all reflections included in the refinement | 0.1349 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.