Information card for entry 2022948

Structure parameters

• Chemical name: Chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)
• Formula: C25 H16 Cl Fe N9 S
• Calculated formula: C25 H16 Cl Fe N9 S
• Title of publication: Synthesis, crystal structure and properties of chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)
• Authors of publication: Müller-Meinhard, Asmus; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 12
• Pages of publication: 1173 - 1178
• a: 10.79412 ± 0.00006 Å
• b: 10.79412 ± 0.00006 Å
• c: 11.15065 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1299.2 ± 0.016 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 104
• Hermann-Mauguin space group symbol: P 4 n c
• Hall space group symbol: P 4 -2n
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes