Information card for entry 7706480

Structure parameters

• Formula: C28 H26 Fe N10 O4
• Calculated formula: C28 H26 Fe N10 O4
• Title of publication: Temperature dependence of desolvation effects in hydrogen-bonded spin crossover complexes.
• Authors of publication: Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Vieira, Bruno J. C.; Waerenborgh, João C; Romero, Francisco M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 2536 - 2544
• a: 18.3091 ± 0.0005 Å
• b: 20.116 ± 0.0004 Å
• c: 14.9144 ± 0.0003 Å
• α: 90°
• β: 93.73 ± 0.002°
• γ: 90°
• Cell volume: 5481.4 ± 0.2 ų
• Cell temperature: 119.9 ± 0.2 K
• Ambient diffraction temperature: 119.9 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0747
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No