Information card for entry 7058863

Structure parameters

• Formula: C60 H72 Bi2 N18 S12
• Calculated formula: C60 H72 Bi2 N18 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: 12.4912 ± 0.0012 Å
• b: 12.53 ± 0.0011 Å
• c: 12.618 ± 0.0015 Å
• α: 103.392 ± 0.009°
• β: 103.411 ± 0.009°
• γ: 109.806 ± 0.009°
• Cell volume: 1700.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No