Information card for entry 7047552

Structure parameters

• Formula: C17 H23 Fe0.64 Mn0.36 N5 O3
• Calculated formula: C17 H23 Fe0.638 Mn0.362 N5 O3
• Title of publication: Seven-coordinated iron(ii) spin-crossover molecules: some learning from iron substitution in [Fe_xMn_1-x(L₂₂₂N₃O₂)(CN)₂]·H₂O solid solutions.
• Authors of publication: Wang, Hongfeng; Baldé, Chérif; Grosjean, Arnaud; Desplanches, Cédric; Guionneau, Philippe; Chastanet, Guillaume
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 14741 - 14750
• a: 17.0528 ± 0.0005 Å
• b: 12.0023 ± 0.0004 Å
• c: 10.0974 ± 0.0003 Å
• α: 90°
• β: 115.88 ± 0.002°
• γ: 90°
• Cell volume: 1859.4 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0774
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No