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Information card for entry 4333546
Preview
Coordinates | 4333546.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H27 F6 Fe N5 O6 S2 |
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Calculated formula | C26 H27 F6 Fe N5 O6 S2 |
SMILES | C1CC[N]2(Cc3cccc[n]3[Fe]342([N]1(Cc1cccc[n]31)Cc1cccc[n]41)OS(=O)(=O)C(F)(F)F)CC#C.C(F)(F)(F)S(=O)(=O)[O-] |
Title of publication | Iron Coordination Chemistry with New Ligands Containing Triazole and Pyridine Moieties. Comparison of the Coordination Ability of the N-Donors |
Authors of publication | Nathalie Ségaud; Jean-Noël Rebilly; Katell Sénéchal-David; Régis Guillot; Laurianne Billon; Jean-Pierre Baltaze; Jonathan Farjon; Olivia Reinaud; Frédéric Banse |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 691 - 700 |
a | 38.818 ± 0.003 Å |
b | 8.5013 ± 0.0006 Å |
c | 19.9136 ± 0.0018 Å |
α | 90° |
β | 110.279 ± 0.002° |
γ | 90° |
Cell volume | 6164.2 ± 0.9 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0969 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.0831 |
Weighted residual factors for all reflections included in the refinement | 0.101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/4333546.html
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