Information card for entry 1559916

Structure parameters

• Chemical name: catena-poly[(5,5'-dimethyl-2,2'- bipyridine)bis(dicyanamido)ion(II)]
• Formula: C16 H12 Fe N8
• Calculated formula: C16 H12 Fe N8
• SMILES: [Fe]12([n]3c(ccc(c3)C)c3[n]2cc(cc3)C)N=C=NC#[N][Fe]2(N=C=NC#[N]1)([n]1c(ccc(c1)C)c1[n]2cc(cc1)C)(N=C=NC#N)N=C=NC#N
• 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: 7.427 ± 0.005 Å
• b: 16.682 ± 0.005 Å
• c: 13.601 ± 0.005 Å
• α: 90°
• β: 96.413 ± 0.005°
• γ: 90°
• Cell volume: 1674.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No