Information card for entry 7716294

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: 15.4057 ± 0.0017 Å
• b: 13.593 ± 0.002 Å
• c: 24.03 ± 0.003 Å
• α: 90°
• β: 93.079 ± 0.004°
• γ: 90°
• Cell volume: 5024.9 ± 1.1 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.066
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No