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Information card for entry 4081561
Preview
Coordinates | 4081561.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 Cl3 Fe N2 O6 |
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Calculated formula | C19 H21 Cl3 Fe N2 O6 |
SMILES | C(=O)(C(=O)OCC)N[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)NC(=O)C(=O)OCC.ClC(Cl)Cl |
Title of publication | Redox-Active Ferrocene as a Tuning Functionality for Magnetic Superexchange Interactions of Bis(oxamato) Type Complexes |
Authors of publication | Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas Kurt; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Yéche, Nicolas; Klauss, Hans-Henning; Rüffer, Tobias |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5988 |
a | 7.2291 ± 0.0004 Å |
b | 12.1116 ± 0.0006 Å |
c | 13.011 ± 0.0006 Å |
α | 89.153 ± 0.004° |
β | 88.459 ± 0.004° |
γ | 74.221 ± 0.005° |
Cell volume | 1095.83 ± 0.1 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0426 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.098 |
Weighted residual factors for all reflections included in the refinement | 0.0994 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081561.html
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Users of the data should acknowledge the original authors of the
structural data.