Information card for entry 7716957

Structure parameters

• Formula: C42 H36 Co F3 N6 S6
• Calculated formula: C42 H36 Co F3 N6 S6
• Title of publication: Dithiocarbamate-based novel anti-histaminic agents: synthesis, characterization, crystal structure and thermal study.
• Authors of publication: Singh, Anupam; Kumar, Rajesh; Patel, Riya; Trishna, ?; Gautam, Ram Nayan; Bharty, M. K.; Prasad, Lal Bahadur
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 33
• Pages of publication: 14077 - 14088
• a: 11.0765 ± 0.0002 Å
• b: 14.2922 ± 0.0002 Å
• c: 15.4661 ± 0.0002 Å
• α: 116.294 ± 0.001°
• β: 96.548 ± 0.001°
• γ: 97.926 ± 0.001°
• Cell volume: 2131.4 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0859
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No