Information card for entry 7704695

Structure parameters

• Formula: C40 H66 Cl2 Fe N20 O8
• Calculated formula: C40 H66 Cl2 Fe N20 O8
• 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: 10.4994 ± 0.0002 Å
• b: 12.245 ± 0.0004 Å
• c: 12.1324 ± 0.0003 Å
• α: 84.628 ± 0.002°
• β: 73.424 ± 0.002°
• γ: 72.557 ± 0.002°
• Cell volume: 1426.18 ± 0.07 ų
• Cell temperature: 80 ± 1 K
• Ambient diffraction temperature: 80 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.3319
• Weighted residual factors for all reflections included in the refinement: 0.3481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.606
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No