Information card for entry 7058865

Structure parameters

• Formula: C84 H72 Bi2 Cl6 N12 S12
• Calculated formula: C84 H72 Bi2 Cl6 N12 S12
• Title of publication: Impact of substituents on the crystal structures and anti-leishmanial activity of new homoleptic Bi(iii) dithiocarbamates
• Authors of publication: Anamika, Anamika; Singh, Rajan; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Akhilesh; Singh, Rakesh K.; Drew, Michael. G. B.; Singh, Nanhai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 43
• Pages of publication: 16921
• a: 12.882 ± 0.002 Å
• b: 13.7698 ± 0.0014 Å
• c: 14.5332 ± 0.0016 Å
• α: 106.152 ± 0.009°
• β: 96.158 ± 0.012°
• γ: 110.401 ± 0.014°
• Cell volume: 2260.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1348
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No