Information card for entry 7133890

Structure parameters

• Formula: C6 H4 Cl2 N2 Ni O
• Calculated formula: C6 H4 Cl2 N2 Ni O
• Title of publication: Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal-organic magnet NiCl₂(btd)_1-<i>x</i>(bod)_<i>x</i>.
• Authors of publication: Myatt, Emily; Lata, Simrun; Pitcairn, Jem; Daisenberger, Dominik; Kronawitter, Silva M.; Hallweger, Sebastian A.; Kieslich, Gregor; Argent, Stephen P.; Tidey, Jeremiah P.; Cliffe, Matthew J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 97
• Pages of publication: 14427 - 14430
• a: 3.52 ± 0.07 Å
• b: 8.96 ± 0.09 Å
• c: 12.17 ± 0.08 Å
• α: 90°
• β: 93.05 ± 0.15°
• γ: 90°
• Cell volume: 383 ± 9 ų
• Cell temperature: 293 ± 5 K
• Ambient diffraction temperature: 293 ± 5 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1782
• Residual factor for significantly intense reflections: 0.1621
• Weighted residual factors for significantly intense reflections: 0.4313
• Weighted residual factors for all reflections included in the refinement: 0.4444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7474
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No