Information card for entry 7014719

Structure parameters

• Formula: C122 H62 B2 F8 Fe2 N38 Ni4 S32
• Calculated formula: C122 H62 B2 F8 Fe2 N38 Ni4 S32
• Title of publication: Spin-crossover behavior and electrical conduction property in iron(ii) complexes with tetrathiafulvalene moieties.
• Authors of publication: Nihei, Masayuki; Takahashi, Nobukazu; Nishikawa, Hiroyuki; Oshio, Hiroki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2154 - 2156
• a: 13.828 ± 0.002 Å
• b: 15.156 ± 0.002 Å
• c: 18.255 ± 0.003 Å
• α: 89.772 ± 0.002°
• β: 83.344 ± 0.002°
• γ: 74.195 ± 0.002°
• Cell volume: 3654.9 ± 0.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2196
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No