Information card for entry 4331923

Structure parameters

• Formula: C32 H22 Fe N6 S12
• Calculated formula: C32 H22 Fe N6 S12
• Title of publication: Pressure Effect on Bulk Weak Ferromagnets: (BDH-TTP)[M(isoq)2(NCS)4] (M = CrIII, FeIII; isoq = Isoquinoline)
• Authors of publication: Kudo, Satoshi; Miyazaki, Akira; Enoki, Toshiaki; Golhen, Stéphane; Ouahab, Lahcène; Toita, Takashi; Yamada, Jun-ichi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3718 - 3725
• a: 16.2691 ± 0.0009 Å
• b: 19.2402 ± 0.0011 Å
• c: 12.6693 ± 0.0008 Å
• α: 90°
• β: 95.237 ± 0.002°
• γ: 90°
• Cell volume: 3949.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1049
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No