Information card for entry 4511128

Structure parameters

• Formula: C7 H5 Cu N6 S
• Calculated formula: C7 H5 Cu N6 S
• Title of publication: Solvothermal Synthesis and Diverse Coordinate Structures of a Series of Luminescent Copper(I) Thiocyanate Coordination Polymers Based on N-Heterocyclic Ligands
• Authors of publication: Li, Ming-Xing; Wang, Hui; Liang, Sheng-Wen; Shao, Min; He, Xiang; Wang, Zhao-Xi; Zhu, Shou-Rong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4626 - 4633
• a: 5.7243 ± 0.0007 Å
• b: 17.842 ± 0.002 Å
• c: 9.1778 ± 0.0011 Å
• α: 90°
• β: 99.999 ± 0.002°
• γ: 90°
• Cell volume: 923.12 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No