Information card for entry 7014718

Structure parameters

• Formula: C61 H31 B F4 Fe N19 Ni2 S16
• Calculated formula: C61 H31 B F4 Fe N19 Ni2 S16
• 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: 13.6883 ± 0.0015 Å
• b: 14.9004 ± 0.0018 Å
• c: 18.364 ± 0.002 Å
• α: 89.572 ± 0.003°
• β: 83.176 ± 0.003°
• γ: 74.454 ± 0.003°
• Cell volume: 3581.8 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1848
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No