Information card for entry 7211191

Structure parameters

• Formula: C30 H24 Cu3 N9 S6
• Calculated formula: C30 H24 Cu3 N9 S6
• 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: 7.94506 ± 0.0001 Å
• b: 9.93697 ± 0.00012 Å
• c: 45.0334 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3555.38 ± 0.07 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No