Information card for entry 7716293

Structure parameters

• Formula: C24 H29 Fe N4 O4 Se
• Calculated formula: C24 H29 Fe N4 O4 Se
• Title of publication: A mononuclear Fe(III) complex showing thermally induced spin crossover and slow magnetic relaxation with reciprocating thermal behaviour.
• Authors of publication: Bridová, Terézia; Rajnák, Cyril; Titiš, Ján; Samoľová, Erika; Tran, Kevin; Malina, Ondřéj; Bieńko, Alina; Renz, Franz; Gembický, Milan; Boča, Roman
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 26
• Pages of publication: 10824 - 10828
• a: 14.871 ± 0.0004 Å
• b: 13.4451 ± 0.0004 Å
• c: 24.1768 ± 0.0009 Å
• α: 90°
• β: 93.522 ± 0.001°
• γ: 90°
• Cell volume: 4824.8 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0725
• 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: Yes
• Has Fobs: No