Information card for entry 7219716

Structure parameters

• Common name: a15483
• Chemical name: Compound 4
• Formula: C114 H162 Mn6 N26 O52 S12
• Calculated formula: C84 H72 Mn6 N16 O32 S12
• Title of publication: Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters
• Authors of publication: Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 2847
• a: 13.498 ± 0.014 Å
• b: 15.22 ± 0.016 Å
• c: 20.51 ± 0.02 Å
• α: 90.775 ± 0.013°
• β: 97.172 ± 0.018°
• γ: 111.158 ± 0.013°
• Cell volume: 3891 ± 7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.2078
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.1794
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No