Information card for entry 4332175

Structure parameters

• Formula: C14 H10 N S7
• Calculated formula: C14 H10 N S7
• SMILES: S1C(SC2=C1SCCS2)=C1SC=C(S1)SCc1ccncc1
• Title of publication: One-Dimensionalμ-Chloromanganese(II)−Tetrathiafulvalene (TTF) Coordination Compound
• Authors of publication: Jia, Chunyang; Liu, Shi-Xia; Ambrus, Christina; Neels, Antonia; Labat, Gaël; Decurtins, Silvio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3152 - 3154
• a: 11.2835 ± 0.0015 Å
• b: 35.311 ± 0.006 Å
• c: 4.2007 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1673.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.75
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No