Information card for entry 7212826

Structure parameters

• Formula: C15 H12 Cu3 N5 S2
• Calculated formula: C15 H12 Cu3 N5 S2
• Title of publication: Two new coordination polymers with multiform helical features based on flexible dithioether ligands and CuCN: from self-penetrating to 3-fold interpenetrating structures
• Authors of publication: Hou, Lei; Shi, Wen-Juan; Wang, Yao-Yu; Liu, Bo; Huang, Wen-Huan; Shi, Qi-Zhen
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4365
• a: 14.474 ± 0.003 Å
• b: 6.949 ± 0.0012 Å
• c: 17.45 ± 0.003 Å
• α: 90°
• β: 96.255 ± 0.004°
• γ: 90°
• Cell volume: 1744.7 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No