Information card for entry 4329200

Structure parameters

• Formula: C36 H27 Fe N11 Re S6
• Calculated formula: C34 H24 Fe N10 Re S6
• SMILES: [Re]([S]=C=N[Fe]12([n]3c(ccc4ccc5ccc([n]1c5c34)C)C)[n]1c(ccc3ccc4ccc([n]2c4c13)C)C)(N=C=S)(N=C=S)(N=C=S)(N=C=S)N=C=S
• Title of publication: New Family of Thiocyanate-Bridged Re(IV)-SCN-M(II) (M = Ni, Co, Fe, and Mn) Heterobimetallic Compounds: Synthesis, Crystal Structure, and Magnetic Properties
• Authors of publication: Ricardo González; Alvaro Acosta; Raúl Chiozzone; Carlos Kremer; Donatella Armentano; Giovanni De Munno; Miguel Julve; Francesc Lloret; Juan Faus
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5737 - 5747
• a: 23.28 ± 0.003 Å
• b: 12.0913 ± 0.0014 Å
• c: 32.407 ± 0.003 Å
• α: 90°
• β: 105.829 ± 0.006°
• γ: 90°
• Cell volume: 8776.2 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2116
• Weighted residual factors for all reflections included in the refinement: 0.238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No