Information card for entry 7123292

Structure parameters

• Formula: C17 H12 Cu N5 S2
• Calculated formula: C17 H12 Cu N5 S2
• Title of publication: Crystal Melting and Glass Formation in Copper Thiocyanate based Coordination Polymers
• Authors of publication: Nagarkar, Sanjog S.; Kurasho, Haruna; Duong, Nghia Tuan Tuan; Nishiyama, Yusuke; Kitagawa, Susumu; Horike, Satoshi
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.57 ± 0.003 Å
• b: 7.2048 ± 0.0013 Å
• c: 16.375 ± 0.003 Å
• α: 90°
• β: 106.271 ± 0.003°
• γ: 90°
• Cell volume: 1650.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.35 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No