Information card for entry 4506358

Structure parameters

• Formula: C217 H190 N46 Ni12 O25 S12
• Calculated formula: C198.5 H128 N42 Ni12 O23 S12
• Title of publication: Self-Assembly of Thiacalix[4]arene-Supported Nickel(II)/Cobalt(II) Complexes Sustained by in Situ Generated 5-Methyltetrazolate Ligand
• Authors of publication: Xiong, Kecai; Jiang, Feilong; Gai, Yanli; He, Zhangzhen; Yuan, Daqiang; Chen, Lian; Su, Kongzhao; Hong, Maochun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 3335
• a: 29.243 ± 0.003 Å
• b: 22.585 ± 0.002 Å
• c: 35.586 ± 0.003 Å
• α: 90°
• β: 97.759 ± 0.002°
• γ: 90°
• Cell volume: 23288 ± 4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0586
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No