Information card for entry 4508847

Structure parameters

• Formula: C72 H72 N8 Ni4 O30 S2
• Calculated formula: C72 H72 N8 Ni4 O30 S2
• Title of publication: Tuning the Framework Formation of Ni(II) Complexes by Controlling the Hydrolysis of 2,2‘,3,3‘-Thiodiphthalic Dianhydride: Syntheses, Crystal Structures, and Physical Properties
• Authors of publication: Zang, Shuangquan; Su, Yang; Song, You; Li, Yizhi; Ni, Zhaoping; Zhu, Huizhen; Meng, Qingjin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 2369
• a: 25.122 ± 0.007 Å
• b: 8.253 ± 0.002 Å
• c: 11.259 ± 0.003 Å
• α: 90°
• β: 108.145 ± 0.008°
• γ: 90°
• Cell volume: 2218.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No