Information card for entry 7710046

Structure parameters

• Formula: C14 H17 Cl N4 O4 Pd S
• Calculated formula: C14 H17 Cl N4 O4 Pd S
• Title of publication: Diosgenin derivatives developed from Pd(ii) catalysed dehydrogenative coupling exert an effect on breast cancer cells by abrogating their growth and facilitating apoptosis via regulating the AKT1 pathway
• Authors of publication: Dharani, S.; Kalaiarasi, G.; Ravi, M.; Sathan Raj, N.; Lynch, Vincent M.; Prabhakaran, R.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.308 ± 0.0019 Å
• b: 9.042 ± 0.002 Å
• c: 13.221 ± 0.003 Å
• α: 88.662 ± 0.006°
• β: 82.64 ± 0.005°
• γ: 86.314 ± 0.006°
• Cell volume: 864.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No