Information card for entry 7204967

Structure parameters

• Formula: C32 H27 Cl7 Mn S24
• Calculated formula: C31 H30.5 Cl5.5 Mn0.5 S24
• Title of publication: β″-(ET)3(MnCl4)(1,1,2-C2H3Cl3) (ET = bis(ethylenedithio)tetrathiafulvalene); a pressure-sensitive new molecular conductor with localized spins
• Authors of publication: Naito, Toshio; Inabe, Tamotsu; Takeda, Keiji; Awaga, Kunio; Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Kakiuchi, Toru; Sawa, Hiroshi; Yamamoto, Takashi; Tajima, Hiroyuki
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 2221
• a: 9.9182 ± 0.0005 Å
• b: 29.591 ± 0.002 Å
• c: 10.1562 ± 0.0005 Å
• α: 90°
• β: 109.443 ± 0.002°
• γ: 90°
• Cell volume: 2810.8 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections: 4.39
• Goodness-of-fit parameter for all reflections included in the refinement: 4.39
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No