Information card for entry 8102269

Structure parameters

• Formula: C10 H12 N4 O2 S4
• Calculated formula: C10 H12 N4 O2 S4
• SMILES: S1SSSC2N(C(=O)N(C=2C2N(C(=O)N(C1=2)C)C)C)C
• Title of publication: Crystal structure of crystal structure of 4,5,9,10-tetrathiocino[1,2-b;5,6-b']diimidazolyl -1,3,6,8-tetramethyl-2,7-dione, C10H12N4O2S4
• Authors of publication: Agnes Bittermann; Klaus Wurst; Benno Bildstein
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 233
• a: 15.0719 ± 0.0006 Å
• b: 11.4131 ± 0.0004 Å
• c: 8.331 ± 0.0003 Å
• α: 90°
• β: 93.119 ± 0.002°
• γ: 90°
• Cell volume: 1430.95 ± 0.09 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No