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Information card for entry 7222488
Preview
Coordinates | 7222488.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Cu2(L-Me-O)(dca)2](PF6).2MeCN |
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Formula | C41 H39 Cu2 F6 N14 O P |
Calculated formula | C41 H39 Cu2 F6 N14 O P |
SMILES | [Cu]123([O]4[Cu]56([N](Cc7c4c(cc(c7)C)C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)(Cc1[n]5cccc1)Cc1[n]6cccc1)N=C=NC#N)N=C=NC#N.N#CC.N#CC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis, structure and magnetic characterization of dinuclear copper(II) complexes bridged by bicompartmental phenolate |
Authors of publication | Massoud, Salah S.; Junk, Thomas; Louka, Febee R.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 16.2326 ± 0.0005 Å |
b | 12.0277 ± 0.0004 Å |
c | 21.832 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4262.5 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0573 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0736 |
Weighted residual factors for all reflections included in the refinement | 0.0775 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
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/7222488.html
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Users of the data should acknowledge the original authors of the
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