Information card for entry 4332425

Structure parameters

• Chemical name: 4,5-diaza-9-(4,5-di(cyanoethylthio)-1,3-dithiol-2-ylidene)-fluorene
• Formula: C20 H14 N4 S4
• Calculated formula: C20 H14 N4 S4
• SMILES: S(C1=C(SCCC#N)SC(S1)=C1c2c(c3c1cccn3)nccc2)CCC#N
• Title of publication: Sequential Generation of One-Dimensional Networks Based on a Differentiated Bischelate-Type Ligand Bearing Both 4,5-Diazafluorene and Dithiolene Units
• Authors of publication: Baudron, Stéphane A.; Hosseini, Mir Wais
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5260 - 5262
• a: 9.0091 ± 0.0002 Å
• b: 10.1626 ± 0.0003 Å
• c: 11.4232 ± 0.0003 Å
• α: 88.785 ± 0.001°
• β: 82.811 ± 0.001°
• γ: 65.061 ± 0.001°
• Cell volume: 940.31 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No