Information card for entry 4318216

Structure parameters

• Formula: C32 H22 Fe N6 S12
• Calculated formula: C31.994 H22 Fe N6 S12
• Title of publication: Bulk Weak Ferromagnet in Ferrimagnetic Chains of Organic-Inorganic Hybrid Materials Based on BDH-TTP and Paramagnetic Thiocyanato Complex Anions: (BDH-TTP)[M(isoq)2(NCS)4], M = CrIII, FeIII
• Authors of publication: Fatima Setifi; Stéphane Golhen; Lahcène Ouahab; Akira Miyazaki; Kazuki Okabe; Toshiaki Enoki; Takashi Toita; Jun-ichi Yamada
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3786 - 3790
• a: 16.1938 ± 0.0008 Å
• b: 19.1117 ± 0.0011 Å
• c: 12.51 ± 0.001 Å
• α: 90°
• β: 94.265 ± 0.003°
• γ: 90°
• Cell volume: 3861 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.086
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No