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Information card for entry 7040015
Preview
Coordinates | 7040015.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Cu2(LClO-bdpa)(mu2-Oac)(ClO4)]ClO4 |
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Formula | C34 H33 Cl3 Cu2 N6 O11 |
Calculated formula | C34 H33 Cl3 Cu2 N6 O11 |
SMILES | [Cu]1234[O]5[Cu]67([O]=C(O1)C)[N](Cc1c5c(cc(Cl)c1)C[N]2(Cc1cccc[n]31)Cc1cccc[n]41)(Cc1cccc[n]61)Cc1cccc[n]71.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Dinuclear metal(ii)-acetato complexes based on bicompartmental 4-chlorophenolate: syntheses, structures, magnetic properties, DNA interactions and phosphodiester hydrolysis. |
Authors of publication | Massoud, Salah S.; Ledet, Catherine C.; Junk, Thomas; Bosch, Simone; Comba, Peter; Herchel, Radovan; Hošek, Jan; Trávníček, Zdeněk; Fischer, Roland C.; Mautner, Franz A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 32 |
Pages of publication | 12933 - 12950 |
a | 10.6949 ± 0.0004 Å |
b | 20.3869 ± 0.0009 Å |
c | 17.5905 ± 0.0007 Å |
α | 90° |
β | 105.489 ± 0.002° |
γ | 90° |
Cell volume | 3696.1 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0676 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.1099 |
Weighted residual factors for all reflections included in the refinement | 0.1363 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
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/7040015.html
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