Information card for entry 7715707

Structure parameters

• Formula: C36 H36 Fe N10 O9
• Calculated formula: C36 H36 Fe N10 O9
• Title of publication: Hydrogen-bonded assemblies of iron(II) spin crossover complexes.
• Authors of publication: Jornet-Mollá, Verónica; Rodríguez-Tarrazó, Marina I; Dolz-Lozano, Miquel J; Giménez-Saiz, Carlos; Romero, Francisco M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 7848 - 7856
• a: 28.8805 ± 0.0005 Å
• b: 15.381 ± 0.0002 Å
• c: 8.49297 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3772.67 ± 0.1 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No