Information card for entry 4338526

Structure parameters

• Formula: C49 H33 Mn N10 S2
• Calculated formula: C49 H33 Mn N10 S2
• Title of publication: Anion-Exchange and Anthracene-Encapsulation within Copper(II) and Manganese(II)-Triazole Metal-Organic Confined Space in a Single Crystal-to-Single Crystal Transformation Fashion.
• Authors of publication: Liu, Ju-Yan; Wang, Qian; Zhang, Li-Jun; Yuan, Bin; Xu, Yao-Yao; Zhang, Xin; Zhao, Cong-Ying; Wang, Dan; Yuan, Yue; Wang, Ying; Ding, Bin; Zhao, Xiao-Jun; Yue, Min Min
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5972 - 5985
• a: 13.514 ± 0.003 Å
• b: 14.027 ± 0.003 Å
• c: 14.082 ± 0.003 Å
• α: 117.25 ± 0.03°
• β: 106.18 ± 0.03°
• γ: 100.13 ± 0.03°
• Cell volume: 2130.3 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2076
• Residual factor for significantly intense reflections: 0.1756
• Weighted residual factors for significantly intense reflections: 0.4801
• Weighted residual factors for all reflections included in the refinement: 0.4956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No