Information card for entry 7704692

Structure parameters

• Formula: C12 H20 N6
• Calculated formula: C12 H20 N6
• Title of publication: Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.
• Authors of publication: Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 28
• Pages of publication: 9811 - 9819
• a: 7.9659 ± 0.0012 Å
• b: 10.0866 ± 0.0013 Å
• c: 8.5204 ± 0.0019 Å
• α: 90°
• β: 91.881 ± 0.015°
• γ: 90°
• Cell volume: 684.2 ± 0.2 ų
• Cell temperature: 290 ± 1 K
• Ambient diffraction temperature: 290 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.259
• Weighted residual factors for all reflections included in the refinement: 0.2661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No