Information card for entry 7719302

Structure parameters

• Formula: C33 H27 Cl Fe N4 O4
• Calculated formula: C33 H27 Cl Fe N4 O4
• Title of publication: Hidden spin state accessed by light irradiation in an iron(III) high-spin complex.
• Authors of publication: Zenno, Hikaru; Hieda, Rui; Nakao, Ryosuke; Sekine, Yoshihiro; Hayami, Shinya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 36
• Pages of publication: 13426 - 13430
• a: 8.7901 ± 0.0002 Å
• b: 11.2361 ± 0.0002 Å
• c: 15.8049 ± 0.0003 Å
• α: 92.724 ± 0.002°
• β: 103.828 ± 0.002°
• γ: 110.816 ± 0.002°
• Cell volume: 1401.64 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0777
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No