Information card for entry 7211193

Structure parameters

• Formula: C76 H60 Cu8 N24 O0 S16
• Calculated formula: C76 H60 Cu8 N24 S16
• Title of publication: Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties
• Authors of publication: Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 42
• Pages of publication: 8395
• a: 9.19 ± 0.004 Å
• b: 20.588 ± 0.009 Å
• c: 24.602 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4655 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1654
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No