Information card for entry 7219713

Structure parameters

• Common name: a14269
• Chemical name: Compound 1
• Formula: C51 H47 Mn2 N9 O11 S4
• Calculated formula: C51 H47 Mn2 N9 O11 S4
• 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: 17.9446 ± 0.0005 Å
• b: 11.1704 ± 0.0003 Å
• c: 27.228 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5457.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No