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Information card for entry 7101149
Preview
Coordinates | 7101149.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H44 Cl4 Fe2 N24 Ni O4 |
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Calculated formula | C46 H44 Cl4 Fe2 N24 Ni O4 |
SMILES | c12cc(c(cc2N2[Fe]3([n]4c(cccc4)C(=O)N13)([n]1c(C2=O)cccc1)(N=N#[N][Ni]123([NH]4CC[NH]1CCC[NH]3CC[NH]2CCC4)[N]#N=N[Fe]123([n]4c(cccc4)C(=O)N1c1cc(c(cc1N2C(=O)c1[n]3cccc1)Cl)Cl)N=N#N)N=N#N)Cl)Cl |
Title of publication | Rational design of azide-bridged bimetallic complexes. Crystal Structure and magnetic properties of FeIIIMFeIII (M=NiII and CuII) trinuclear species |
Authors of publication | Enrique Colacio; Jean-Pierre Costes; Jose M. Dominguez-Vera; Ikram Ben Maimoun; Jose Suarez-Varela |
Journal of publication | Chemical Communications |
Year of publication | 2005 |
Journal issue | 4 |
a | 9.787 ± 0.003 Å |
b | 13.274 ± 0.004 Å |
c | 20.682 ± 0.006 Å |
α | 90° |
β | 95.242 ± 0.007° |
γ | 90° |
Cell volume | 2675.5 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1528 |
Residual factor for significantly intense reflections | 0.0757 |
Weighted residual factors for significantly intense reflections | 0.1256 |
Weighted residual factors for all reflections included in the refinement | 0.1522 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
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/7101149.html
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