Information card for entry 8102268

Structure parameters

• Formula: C31 H22 Cl2 N4 S6
• Calculated formula: C31 H20 Cl2 N4 S6
• Title of publication: Crystal structure of 4,5,9,10-tetrathiocino[1,2-b;5,6-b']-diimidazolyl -1,3,6,8-tetraphenyl-2,7-dithione-dichloromethane (1:1), C30H20N4S6 · CH2Cl2
• Authors of publication: Agnes Bittermann; Benno Bildstein; Klaus Wurst
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 231
• a: 21.997 ± 0.0005 Å
• b: 13.6104 ± 0.0005 Å
• c: 23.1275 ± 0.0009 Å
• α: 90°
• β: 92.525 ± 0.002°
• γ: 90°
• Cell volume: 6917.4 ± 0.4 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No