Information card for entry 4306364

Structure parameters

• Common name: (EDT-TTF-Br2)5, Cd2.5(SCN)7, TCE
• Formula: C48 H21.5 Br10 Cd2.5 Cl1.5 N7 S37
• Calculated formula: C48 H21.5 Br10 Cd2.5 Cl1.5 N7 S37
• Title of publication: Anionic Layered Networks Reconstructed from [Cd(SCN)3]\ιnfty-Chains in Pseudo One-Dimensional Conducting Salts of Halogenated Tetrathiafulvalenes
• Authors of publication: Marc Fourmigué; Pascale Auban-Senzier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9979 - 9986
• a: 14.3707 ± 0.0004 Å
• b: 18.0459 ± 0.0005 Å
• c: 19.4342 ± 0.0004 Å
• α: 86.7917 ± 0.0017°
• β: 72.7663 ± 0.0015°
• γ: 69.5448 ± 0.0013°
• Cell volume: 4503.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1056
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No