Information card for entry 4322307

Structure parameters

• Formula: C26 H32 Fe N9 O2 S4
• Calculated formula: C26 H32 Fe N9 O2 S4
• SMILES: N(C=O)(C)C.[Fe]12([n]3ccc(cc3)C3=[NH+]C(C(N3)(C)C)(C)C)(SC(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N.N(C=O)(C)C
• Title of publication: Spin-Crossover in the Complex Bis(cis-1,2-dicyano-1,2-ethylenedithiolato) [2-(p-pyridyl)-4,4,5,5-tetramethylimidazolinium]iron(III)
• Authors of publication: Mohammed Fettouhi; Mohammed Morsy; Abdel Waheed; Stéphane Golhen; Lahcène Ouahab; Jean-Pascal Sutter; Olivier Kahn; Nieves Menendez; François Varret
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4910 - 4912
• a: 17.755 ± 0.016 Å
• b: 13.62 ± 0.004 Å
• c: 13.832 ± 0.017 Å
• α: 90°
• β: 100.04 ± 0.05°
• γ: 90°
• Cell volume: 3294 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1785
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No