Information card for entry 7219717

Structure parameters

• Common name: i14732
• Chemical name: Compound 5
• Formula: C28 H34 Mn2 N4 O15 S4
• Calculated formula: C27.98 H29.94 Mn2 N4 O14.98 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: 22.739 ± 0.005 Å
• b: 16.038 ± 0.003 Å
• c: 9.7046 ± 0.0019 Å
• α: 90°
• β: 94 ± 0.03°
• γ: 90°
• Cell volume: 3530.5 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No