Information card for entry 7219714

Structure parameters

• Common name: ch14263
• Chemical name: Compound 2
• Formula: C150 H162 Mn6 N30 O38 S12
• Calculated formula: C150 H154 Mn6 N30 O38 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: 11.8071 ± 0.0015 Å
• b: 29.765 ± 0.004 Å
• c: 13.1818 ± 0.0016 Å
• α: 90°
• β: 110.456 ± 0.002°
• γ: 90°
• Cell volume: 4340.5 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No