Information card for entry 7232522

Structure parameters

• Formula: C25 H38 N14 O3 S4 Zn2
• Calculated formula: C25 H38 N14 O3 S4 Zn2
• Title of publication: Factors that determine thione(thiol)‒disulfide interconversion in a bis(thiosemicarbazone) copper(ii) complex
• Authors of publication: Jeong, Haewon; Kang, Yeji; Kim, Jin; Kim, Byung-Kwon; Hong, Seungwoo
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 16
• Pages of publication: 9049
• a: 13.697 ± 0.003 Å
• b: 14.759 ± 0.003 Å
• c: 18.746 ± 0.004 Å
• α: 90°
• β: 109.166 ± 0.003°
• γ: 90°
• Cell volume: 3579.5 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No