Information card for entry 4347666

Structure parameters

• Formula: C12 H6 Cl2 Fe N8 Ni
• Calculated formula: C12 H6 Cl2 Fe N8 Ni
• Title of publication: Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.
• Authors of publication: Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 4906 - 4914
• a: 16.7053 ± 0.0011 Å
• b: 7.1336 ± 0.0004 Å
• c: 7.328 ± 0.0003 Å
• α: 90°
• β: 110.358 ± 0.005°
• γ: 90°
• Cell volume: 818.72 ± 0.08 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 6
• 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: 0.0419
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No