Information card for entry 7133888

Structure parameters

• Formula: C6 H4 Cl2 N2 Ni S
• Calculated formula: C6 H4 Cl2 N2 Ni S
• Title of publication: Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal–organic magnet NiCl2(btd)1–x(bod)x
• Authors of publication: Myatt, Emily; Lata, Simrun; Pitcairn, Jem; Daisenberger, Dominik; Kronawitter, Silva; Hallweger, Sebastian; Kieslich, Gregor; Argent, Stephen; Tidey, Jeremiah P.; Cliffe, Matthew
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 12.67 ± 0.07 Å
• b: 3.55 ± 0.11 Å
• c: 8.87 ± 0.09 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 399 ± 13 ų
• Cell temperature: 293 ± 5 K
• Ambient diffraction temperature: 293 ± 5 K
• Number of distinct elements: 6
• Space group number: 51
• Hermann-Mauguin space group symbol: P m m a
• Hall space group symbol: -P 2a 2a
• Residual factor for all reflections: 0.1478
• Residual factor for significantly intense reflections: 0.1214
• Weighted residual factors for significantly intense reflections: 0.2743
• Weighted residual factors for all reflections included in the refinement: 0.2826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5416
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No