Information card for entry 1559915

Structure parameters

• Chemical name: catena-[bis(μ-4,4'-bipyridine)-tetrakis(μ-dicyanamido)-di-iron 4,4'-bipyridine ethanol solvate]
• Formula: C34.82 H25.85 Fe2 N16.96 O
• Calculated formula: C34.815 H25.852 Fe2 N16.963 O
• Title of publication: The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey
• Authors of publication: Setifi, Zouaoui; Geiger, David; Jelsch, Christian; Maris, Thierry; Glidewell, Christopher; Mirzaei, Masoud; Arefian, Mina; Setifi, Fatima
• Journal of publication: Journal of Molecular Structure
• Year of publication: 2018
• Journal volume: 1173
• Pages of publication: 697 - 706
• a: 19.908 ± 0.009 Å
• b: 14.944 ± 0.008 Å
• c: 12.194 ± 0.006 Å
• α: 90°
• β: 91.379 ± 0.018°
• γ: 90°
• Cell volume: 3627 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No