Information card for entry 7134869

Structure parameters

• Formula: C10 H14 F2 Fe K N8
• Calculated formula: C10.0002 H14.0016 F2.0004 Fe K N8.0004
• Title of publication: Effective enhancement of mechanical properties <i>via</i> H/F substitution in 3D cyanide hybrid perovskites.
• Authors of publication: Ji, Luan-Ying; Zhou, Jun-Si; Liu, Shu-Yi; Qin, Yan; Lv, Hui-Peng; Chen, Xiao-Gang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 70
• Pages of publication: 13165 - 13168
• a: 11.715 ± 0.0001 Å
• b: 11.715 ± 0.0001 Å
• c: 11.715 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1607.78 ± 0.02 ų
• Cell temperature: 272.99 ± 0.1 K
• Ambient diffraction temperature: 272.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No