Information card for entry 2300750

Structure parameters

• Formula: C2 H2.25 F2 N Ni0.25 Sb0.25
• Calculated formula: C2 H2.25 F1.99865 N Ni0.25 Sb0.249775
• Title of publication: Electron-density analysis of halide...halide through-space magnetic exchange
• Authors of publication: Scatena, Rebecca; Manson, Zachary E.; Villa, Danielle Y.; Manson, Jamie L.; Allan, David R.; Goddard, Paul A.; Johnson, Roger D.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2025
• Journal volume: 58
• Journal issue: 2
• Pages of publication: 363 - 373
• a: 9.9063 Å
• b: 9.9063 Å
• c: 6.4357 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 631.566 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0118
• Residual factor for significantly intense reflections: 0.0118
• Weighted residual factors for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0413
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No