Information card for entry 7219715

Structure parameters

• Common name: ch14268
• Chemical name: Compound 3
• Formula: C72 H44 Mn3 N12 O17 S8
• Calculated formula: C72 H42 Mn3 N12 O17 S8
• 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: 12.1946 ± 0.0007 Å
• b: 12.5819 ± 0.0009 Å
• c: 14.6838 ± 0.0009 Å
• α: 72.43 ± 0.004°
• β: 69.157 ± 0.004°
• γ: 62.887 ± 0.004°
• Cell volume: 1847.5 ± 0.2 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: 0.1123
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No