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Information card for entry 7056212
Preview
Coordinates | 7056212.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H31 Cl Fe N3 O2 |
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Calculated formula | C32 H31 Cl Fe N3 O2 |
SMILES | [Fe]1234(Cl)Oc5c(cc(cc5)C)C(=[N]3CC[NH]2CC[N]4=C(c2c(O1)ccc(C)c2)c1ccccc1)c1ccccc1 |
Title of publication | Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones |
Authors of publication | Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan |
Journal of publication | New J. Chem. |
Year of publication | 2017 |
a | 10.3034 ± 0.0003 Å |
b | 15.3208 ± 0.0004 Å |
c | 18.1489 ± 0.0006 Å |
α | 90° |
β | 101.693 ± 0.003° |
γ | 90° |
Cell volume | 2805.46 ± 0.15 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0458 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.1097 |
Weighted residual factors for all reflections included in the refinement | 0.1126 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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196896 (current) | 2017-05-23 | cif/ Adding structures of 7056210, 7056211, 7056212, 7056213, 7056214, 7056215, 7056216, 7056217, 7056218 via cif-deposit CGI script. |
7056212.cif |
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Users of the data should acknowledge the original authors of the
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