Information card for entry 7040294

Structure parameters

• Formula: C22 H26 F12 Fe N10 P2
• Calculated formula: C22 H26 F12 Fe N10 P2
• Title of publication: Synthesis, structure, and spin crossover above room temperature of a mononuclear and related dinuclear double helicate iron(ii) complexes.
• Authors of publication: Hagiwara, Hiroaki; Tanaka, Tomoko; Hora, Shiori
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17132 - 17140
• a: 12.1982 ± 0.0016 Å
• b: 21.725 ± 0.003 Å
• c: 12.2925 ± 0.0016 Å
• α: 90°
• β: 118.809 ± 0.0012°
• γ: 90°
• Cell volume: 2854.4 ± 0.7 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No