Information card for entry 7716207

Structure parameters

• Formula: C18 H12 Cl2 Fe N6 O8 S6
• Calculated formula: C18 H12 Cl2 Fe N6 O8 S6
• 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: 17.25 ± 0.0003 Å
• b: 9.8245 ± 0.0002 Å
• c: 16.8597 ± 0.0003 Å
• α: 90°
• β: 105.972 ± 0.002°
• γ: 90°
• Cell volume: 2746.96 ± 0.09 ų
• Cell temperature: 300.5 ± 0.8 K
• Ambient diffraction temperature: 300.5 ± 0.8 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No