Information card for entry 1568492

Structure parameters

• Chemical name: Caesium nickel trithiocyanate
• Formula: C6 Cs2 N6 Ni2 S6
• Calculated formula: C6 Cs2 N6 Ni2 S6
• Title of publication: Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)₃.
• Authors of publication: Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3531 - 3540
• a: 12.5261 ± 0.0005 Å
• b: 13.0853 ± 0.001 Å
• c: 5.5409 ± 0.0017 Å
• α: 90°
• β: 96.56 ± 0.006°
• γ: 90°
• Cell volume: 902.3 ± 0.3 ų
• Cell temperature: 15 K
• Ambient diffraction temperature: 15 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: 0.1483
• Residual factor for significantly intense reflections: 0.1139
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for significantly intense reflections: 4.55
• Goodness-of-fit parameter for all reflections included in the refinement: 3.72
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.45678 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No