Information card for entry 7204375

Structure parameters

• Formula: C34 H30 Cl2 I N5 S2
• Calculated formula: C34 H30 Cl2 I N5 S2
• Title of publication: Distorted electron acceptors: an unexpected reaction involving tetramethyl-TCNQ
• Authors of publication: Bell, Norman A.; Crouch, David J.; High, Lawrence R. H.; Simmonds, Derek J.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 1171
• a: 7.9977 ± 0.0016 Å
• b: 14.986 ± 0.003 Å
• c: 27.776 ± 0.006 Å
• α: 90°
• β: 95.75 ± 0.03°
• γ: 90°
• Cell volume: 3312.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0734
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No