Information card for entry 4503912

Structure parameters

• Formula: C12 H8 Cu2 N4 S3
• Calculated formula: C12 H8 Cu2 N4 S3
• Title of publication: Ligand Concentration Controlled Supramolecular Isomerism in Two CuSCN Based Coordination Polymers with in Situ Synthesized 4,4‘-Dipyridylsulfide as a Co-Ligand
• Authors of publication: Hao, Zheng-Ming; Zhang, Xian-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 64
• a: 17.999 ± 0.01 Å
• b: 8.518 ± 0.005 Å
• c: 10.203 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1564.3 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No