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Information card for entry 7016629
Preview
Coordinates | 7016629.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H36 Fe2 N12 S4 |
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Calculated formula | C40 H36 Fe2 N12 S4 |
SMILES | C(=N[Fe]12(N=C=S)([n]3ccccc3C[NH]1Cc1[n]2cccc1)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Fe]12(N=C=S)(N=C=S)[n]3ccccc3C[NH]1Cc1[n]2cccc1)=S |
Title of publication | Spin crossover and polymorphism in a family of 1,2-bis(4-pyridyl)ethene-bridged binuclear iron(ii) complexes. A key role of structural distortions. |
Authors of publication | Matouzenko, Galina S.; Jeanneau, Erwann; Yu Verat, Alexander; Bousseksou, Azzedine |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 37 |
Pages of publication | 9608 - 9618 |
a | 21.017 ± 0.003 Å |
b | 12.429 ± 0.001 Å |
c | 19.39 ± 0.003 Å |
α | 90° |
β | 114.08 ± 0.02° |
γ | 90° |
Cell volume | 4624.3 ± 1.3 Å3 |
Cell temperature | 183 K |
Ambient diffraction temperature | 183 K |
Number of distinct elements | 5 |
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 | 0.1006 |
Residual factor for significantly intense reflections | 0.067 |
Weighted residual factors for all reflections | 0.1018 |
Weighted residual factors for significantly intense reflections | 0.088 |
Weighted residual factors for all reflections included in the refinement | 0.1018 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9792 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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