Information card for entry 7059001

Structure parameters

• Formula: C61 H45 Cd2 Cl21 N12 O13 S16
• Calculated formula: C61 H45 Cd2 Cl21 N12 O13 S16
• Title of publication: Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities
• Authors of publication: Bechu, Damien; Rogez, Guillaume; Hosseini, Mir Wais; Baudron, Stéphane A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 14291
• a: 17.5072 ± 0.0008 Å
• b: 18.2272 ± 0.0009 Å
• c: 19.2922 ± 0.0008 Å
• α: 70.432 ± 0.002°
• β: 63.379 ± 0.002°
• γ: 65.013 ± 0.002°
• Cell volume: 4907.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No