Information card for entry 7716213

Structure parameters

• Formula: C30 H25 Cl2 Fe N15 O8 S5
• Calculated formula: C30 H25 Cl2 Fe N15 O8 S5
• Title of publication: Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands.
• Authors of publication: Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 25
• Pages of publication: 10511 - 10520
• a: 17.8075 ± 0.0006 Å
• b: 15.1011 ± 0.0003 Å
• c: 44.5307 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11974.9 ± 0.5 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.158
• Residual factor for significantly intense reflections: 0.1494
• Weighted residual factors for significantly intense reflections: 0.4148
• Weighted residual factors for all reflections included in the refinement: 0.4222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.853
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No