Information card for entry 4316167

Structure parameters

• Common name: K2(TTF-TC)H2
• Chemical name: dipotassium(tetrathiafulvalenedicarboxylic)dicarboxylate monoclinic polymorph
• Formula: C10 H2 K2 O8 S4
• Calculated formula: C10 H2 K2 O8 S4
• SMILES: C1(=C(C(=O)O)SC(S1)=C1SC(=C(C(=O)[O-])S1)C(=O)O)C(=O)[O-].[K+].[K+]
• Title of publication: 3-D Coordination Polymers Based on the Tetrathiafulvalenetetracarboxylate (TTF-TC) Derivative: Synthesis, Characterization, and Oxidation Issues
• Authors of publication: Thi Le Anh Nguyen; Rezan Demir-Cakan; Thomas Devic; Mathieu Morcrette; Tim Ahnfeldt; Pascale Auban-Senzier; Norbert Stock; Anne-Marie Goncalves; Yaroslav Filinchuk; Jean-Marie Tarascon; Gérard Férey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7135 - 7143
• a: 8.8268 ± 0.0006 Å
• b: 3.9607 ± 0.0003 Å
• c: 22.6386 ± 0.001 Å
• α: 90°
• β: 92.595 ± 0.006°
• γ: 90°
• Cell volume: 790.64 ± 0.09 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.699765 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No