Information card for entry 7212168

Structure parameters

• Formula: C16 H10 Cu3 N7 S3
• Calculated formula: C16 H10 Cu3 N7 S3
• Title of publication: An unprecedented 2-D CuSCN coordination network containing both regular and irregular [Cu3(SCN)3] rings supported by a tridentate N-donor ligand
• Authors of publication: Zhan, Shun-Ze; Peng, Rong; Lin, Shi-Hong; Ng, Seik Weng; Li, Dan
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1385
• a: 5.7798 ± 0.0006 Å
• b: 8.7059 ± 0.0009 Å
• c: 10.3704 ± 0.0011 Å
• α: 83.7 ± 0.002°
• β: 84.555 ± 0.002°
• γ: 76.231 ± 0.002°
• Cell volume: 502.49 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No