Information card for entry 4349104

Structure parameters

• Formula: C12 H6 F2 Fe N8 Ni
• Calculated formula: C12 H6 F2 Fe N8 Ni
• Title of publication: Strong Cooperative Spin Crossover in 2D and 3D Fe^II-M^I,II Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.
• Authors of publication: Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10654 - 10665
• a: 7.2842 ± 0.0002 Å
• b: 6.9449 ± 0.0002 Å
• c: 14.4255 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 729.76 ± 0.04 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• Space group number: 53
• Hermann-Mauguin space group symbol: P m n a
• Hall space group symbol: -P 2ac 2
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No