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Information card for entry 4305526
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4305526.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H24 Cl6 Fe N4 O4 S4 |
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Calculated formula | C22 H24 Cl6 Fe N4 O4 S4 |
SMILES | c1(ccccc1C1=[O][Fe]2(Cl)([N](=C3SCCS3)N1)([N](=C1SCCS1)NC(c1c(cccc1)O)=[O]2)Cl)O.C(Cl)Cl.C(Cl)Cl |
Title of publication | Synthesis and Magnetic Properties of New Mono- and Binuclear Iron Complexes with Salicyloylhydrazono Dithiolane Ligand |
Authors of publication | Nouri Bouslimani; Nicolas Clément; Guillaume Rogez; Philippe Turek; Maxime Bernard; Samuel Dagorne; David Martel; Hoan Nguyen Cong; Richard Welter |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 7623 - 7630 |
a | 8.954 ± 0.0003 Å |
b | 9.268 ± 0.0005 Å |
c | 19.285 ± 0.0009 Å |
α | 90° |
β | 103.161 ± 0.003° |
γ | 90° |
Cell volume | 1558.34 ± 0.12 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0829 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.0996 |
Weighted residual factors for all reflections included in the refinement | 0.1142 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4305526.html
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Users of the data should acknowledge the original authors of the
structural data.