Information card for entry 4316171

Structure parameters

• Common name: K(TTF-TC+)H2
• Chemical name: potassium(tetrathiafulvalenedicarboxylic)dicarboxylate
• Formula: C10 H2 K O8 S4
• Calculated formula: C10 H2 K O8 S4
• SMILES: C1(=C(SC(S1)=C1SC(=C(C(=O)[O-])S1)C(=O)O)C(=O)O)C(=O)[O-].[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: 5.1094 ± 0.0007 Å
• b: 6.0771 ± 0.0009 Å
• c: 11.0989 ± 0.0017 Å
• α: 89.659 ± 0.003°
• β: 86.035 ± 0.003°
• γ: 86.061 ± 0.003°
• Cell volume: 342.99 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No