Information card for entry 7133932

Structure parameters

• Formula: C6 H18 B3 F12 N5
• Calculated formula: C6 H18 B3 F12 N5
• Title of publication: Solvent-assisted mechanochemical crystallization of the metal-free perovskite solid solution (H₂dabco, H₂hmta)NH₄(BF₄)₃.
• Authors of publication: Moriguchi, Jumpei; Koga, Tomoe; Tsunoji, Nao; Nishihara, Sadafumi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 84
• Pages of publication: 12181 - 12184
• a: 14.3261 ± 0.0002 Å
• b: 14.3261 ± 0.0002 Å
• c: 28.6549 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5881 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No