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Information card for entry 7006061
Preview
Coordinates | 7006061.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H36 Cl2 Cu3 N6 O14 |
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Calculated formula | C38 H33 Cl2 Cu3 N6 O14 |
SMILES | [Cu]123[N](O[Cu]45([n]6ccccc6C(=[N]4O[Cu]4([N](O2)=C(c2[n]4cccc2)c2ccccc2)[OH]35)c2ccccc2)[OH]C)=C(c2[n]1cccc2)c1ccccc1.OC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication | Copper inverse-9-metallacrown-3 compounds showing antisymmetric magnetic behaviour. |
Authors of publication | Afrati, Tereza; Dendrinou-Samara, Catherine; Raptopoulou, Catherine; Terzis, Aris; Tangoulis, Vassilis; Kessissoglou, Dimitris P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 44 |
Pages of publication | 5156 - 5164 |
a | 16.264 ± 0.008 Å |
b | 15.696 ± 0.011 Å |
c | 17.25 ± 0.011 Å |
α | 90° |
β | 96.59 ± 0.03° |
γ | 90° |
Cell volume | 4374 ± 5 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 6 |
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 | 0.0987 |
Residual factor for significantly intense reflections | 0.0793 |
Weighted residual factors for significantly intense reflections | 0.2149 |
Weighted residual factors for all reflections included in the refinement | 0.2385 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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