Information card for entry 1572417

Structure parameters

• Formula: C4 H12 Ag Br2 N
• Calculated formula: C4 H12 Ag Br2 N
• Title of publication: Ultralow thermal conductivity and thermally-deactivated electrical transport in 1D silver array with alternating δ-bond
• Authors of publication: Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 6.7744 ± 0.0013 Å
• b: 9.1274 ± 0.0019 Å
• c: 15.003 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 927.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No