Information card for entry 7700712

Structure parameters

• Formula: C16 H20 F6 N4 O6 S2
• Calculated formula: C16 H20 F6 N4 O6 S2
• Title of publication: Synthesis, characterization and anti-cancer properties of water-soluble bis(PYE) pro-ligands and derived palladium(ii) complexes.
• Authors of publication: Zafar, Muhammad Naveed; Masood, Sara; Chaudhry, Gul-E-Saba; Muhammad, Tengku Sifzizul Tengku; Dalebrook, Andrew Francis; Nazar, Muhammad Faizan; Malik, Fouzia Perveen; Mughal, Ehsan Ullah; Wright, Leonard James
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15408 - 15418
• a: 11.1143 ± 0.0003 Å
• b: 18.9059 ± 0.0005 Å
• c: 10.9462 ± 0.0003 Å
• α: 90°
• β: 105.989 ± 0.002°
• γ: 90°
• Cell volume: 2211.1 ± 0.11 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No