Information card for entry 7048883

Structure parameters

• Formula: C53.5 H56 B2 F8 Fe N10 O3.5
• Calculated formula: C53.5 H56 B2 F8 Fe N10 O3.5
• Title of publication: Substituent dependence on the spin crossover behaviour of mononuclear Fe(ii) complexes with asymmetric tridentate ligands.
• Authors of publication: Saiki, Ryo; Miyamoto, Haruka; Sagayama, Hajime; Kumai, Reiji; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 3231 - 3236
• a: 12.496 ± 0.01 Å
• b: 12.836 ± 0.01 Å
• c: 17.661 ± 0.014 Å
• α: 85.769 ± 0.008°
• β: 73.318 ± 0.011°
• γ: 84.14 ± 0.011°
• Cell volume: 2696 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1661
• Residual factor for significantly intense reflections: 0.1244
• Weighted residual factors for significantly intense reflections: 0.3343
• Weighted residual factors for all reflections included in the refinement: 0.37
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No