Information card for entry 4332427

Structure parameters

• Formula: C60 H84 Hg N6 S8
• Calculated formula: C60 H84 Hg N6 S8
• SMILES: S1[Hg]2(SC3=C1SC(S3)=C1c3cccnc3c3c1cccn3)SC1=C(S2)SC(S1)=C1c2cccnc2c2c1cccn2.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 40.8172 ± 0.0017 Å
• b: 9.56 ± 0.0005 Å
• c: 33.7035 ± 0.0016 Å
• α: 90°
• β: 106.945 ± 0.002°
• γ: 90°
• Cell volume: 12580.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1204
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No