Information card for entry 4102056

Structure parameters

• Formula: C39 H21 Fe N19 Ni2 O2 S8
• Calculated formula: C39 H21 Fe N19 Ni2 O2 S8
• Title of publication: Multiple Bistability and Tristability with Dual Spin-State Conversions in [Fe(dpp)2][Ni(mnt)2]2.MeNO2
• Authors of publication: Masayuki Nihei; Hirotaka Tahira; Nobukazu Takahashi; Yusuke Otake; Yasuhisa Yamamura; Kazuya Saito; Hiroki Oshio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3553 - 3560
• a: 18.397 ± 0.009 Å
• b: 19.306 ± 0.009 Å
• c: 21.597 ± 0.01 Å
• α: 97.65 ± 0.01°
• β: 95.067 ± 0.009°
• γ: 104.091 ± 0.008°
• Cell volume: 7315 ± 6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.161
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.2548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No