Information card for entry 7121430

Structure parameters

• Formula: C36 H58 Cl2 Fe N18 O8
• Calculated formula: C36 H58 Cl2 Fe N18 O8
• Title of publication: Double spin transition in a two dimensional Fe(ii) coordination network.
• Authors of publication: Weselski, Marek; Książek, Maria; Rokosz, Dominika; Dreczko, Agnieszka; Kusz, Joachim; Bronisz, Robert
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 31
• Pages of publication: 3895 - 3898
• a: 11.799 ± 0.002 Å
• b: 11.225 ± 0.002 Å
• c: 11.573 ± 0.002 Å
• α: 64.323 ± 0.019°
• β: 83.075 ± 0.016°
• γ: 62.158 ± 0.019°
• Cell volume: 1215 ± 0.5 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 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: 0.147
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No