Information card for entry 4502419

Structure parameters

• Formula: C30 H24 Cl8 Fe2 S24
• Calculated formula: C30 H24 Cl8 Fe2 S24
• SMILES: C1(SC2=C(S1)SCCS2)=C1SC2=C(S1)SCCS2.S1C2=C(SC1=C1SC3=C(S1)SCCS3)SCCS2.Cl[Fe](Cl)(Cl)[Cl-].C1(SC2=C(S1)SCCS2)=C1SC2=C(S1)SCCS2.Cl[Fe](Cl)(Cl)[Cl-]
• Title of publication: Polymorphism in Hybrid Organic−Inorganic Bilayered Magnetic Conductors (BEDT-TTF)3(FeIIICl4)2, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene
• Authors of publication: Zhang, Bin; Kurmoo, Mohamedally; Mori, Takehiko; Zhang, Yan; Pratt, Francis Laurence; Zhu, Daoben
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 782
• a: 55.9187 ± 0.0007 Å
• b: 6.7424 ± 0.0001 Å
• c: 14.9057 ± 0.0003 Å
• α: 90°
• β: 101.056 ± 0.001°
• γ: 90°
• Cell volume: 5515.54 ± 0.16 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 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: 0.1138
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No