Information card for entry 4515161

Structure parameters

• Formula: C4.61 H3.66 F0.41 N0.54 O0.68 Ru0.14 S0.14
• Calculated formula: C4.61017 H3.66102 F0.40678 N0.542373 O0.677966 Ru0.135593 S0.135593
• Title of publication: Coordination-Driven Self-Assembly of Triazole-Based Apoptosis-Inducible Metallomacrocycles.
• Authors of publication: Singh, Jatinder; Park, Dae Won; Kim, Dong Hwan; Singh, Nem; Kang, Se Chan; Chi, Ki-Whan
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 10810 - 10817
• a: 15.89 ± 0.003 Å
• b: 15.537 ± 0.003 Å
• c: 28.947 ± 0.006 Å
• α: 90°
• β: 93.24 ± 0.03°
• γ: 90°
• Cell volume: 7135 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.3053
• Weighted residual factors for all reflections included in the refinement: 0.3172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.404
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No