Information card for entry 7215463

Structure parameters

• Formula: C108 H92 Cd Cl2 N28 O12 S32
• Calculated formula: C108 H92 Cd Cl2 N28 O12 S32
• Title of publication: Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry
• Authors of publication: Biet, Thomas; Avarvari, Narcis
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 6612
• a: 21.102 ± 0.003 Å
• b: 21.102 ± 0.002 Å
• c: 15.611 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6951.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 103
• Hermann-Mauguin space group symbol: P 4 c c
• Hall space group symbol: P 4 -2c
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No