Information card for entry 7123290

Structure parameters

• Formula: C17 H17 Cu2 N5 S3
• Calculated formula: C17 H17 Cu2 N5 S3
• 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: 29.638 ± 0.011 Å
• b: 10.275 ± 0.004 Å
• c: 13.229 ± 0.005 Å
• α: 90°
• β: 98.539 ± 0.005°
• γ: 90°
• Cell volume: 3984 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.35 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: 0.1354
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No