Information card for entry 4347664

Structure parameters

• Formula: C8 H5 Fe I N6 O Pd
• Calculated formula: C8 H5 Fe I N6 O Pd
• 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: 12.9755 ± 0.0002 Å
• b: 7.5378 ± 0.00013 Å
• c: 13.2172 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1292.73 ± 0.04 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0178
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No