Information card for entry 4314015

Structure parameters

• Formula: C22 H12 Br4 Fe S14 Se4
• Calculated formula: C22 H12 Br4 Fe S14 Se4
• SMILES: Br[Fe](Br)(Br)[Br-].[Se]1C=C[Se]C1=C1SC(SC1=S)=C1SC2=C(S1)SCCS2.[Se]1C=C[Se]C1=C1SC(SC1=S)=C1SC2=C(S1)SCCS2
• Title of publication: Electrical Conducting and Magnetic Properties of (Ethylenedithiotetrathiafulvalenothioquinone-1,3-diselenolemethide)2 .FeBr4(GaBr4) Crystals with Two Different Interlayer Arrangements of Donor Molecules
• Authors of publication: Takuya Matsumoto; Yohsuke Kamada; Toyonari Sugimoto; Toshiji Tada; Satoru Noguchi; Hiroyuki Nakazumi; Motoo Shiro; Harukazu Yoshino; Keizo Murata
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5192 - 5201
• a: 7.538 ± 0.003 Å
• b: 37.45 ± 0.01 Å
• c: 14.07 ± 0.004 Å
• α: 90°
• β: 103.14 ± 0.03°
• γ: 90°
• Cell volume: 3868 ± 2 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No