Information card for entry 4347668

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: 16.511 ± 0.002 Å
• b: 6.9222 ± 0.001 Å
• c: 7.2033 ± 0.0007 Å
• α: 90°
• β: 112.05 ± 0.012°
• γ: 90°
• Cell volume: 763.07 ± 0.17 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0508
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No