Information card for entry 1562159

Structure parameters

• Formula: C50 H35.5 Mn2 N6 O10.75 S
• Calculated formula: C50 H35.5 Mn2 N6 O10.75 S
• Title of publication: A key route to designing huge eight-fold interpenetrated coordination networks with ths-type topology: Synthesis, structures, and topological characteristics
• Authors of publication: Tseng, Tien-Wen; Yang, Ming-Ling; Luo, Tzuoo-Tsair
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 221
• Pages of publication: 345 - 350
• a: 14.424 ± 0.003 Å
• b: 17.798 ± 0.004 Å
• c: 17.195 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4414.3 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No