Information card for entry 7230872

Structure parameters

• Common name: MA2AgInBr6
• Formula: C2 H12 Ag Br6 In N2
• Calculated formula: C2.0004 H12.0024 Ag Br6 In N2.0004
• Title of publication: Chemically controlled crystal growth of (CH3NH3)2AgInBr6
• Authors of publication: Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 39
• Pages of publication: 5929
• a: 7.7414 ± 0.0005 Å
• b: 7.7414 ± 0.0005 Å
• c: 7.0841 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 367.67 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.6 Å
• Diffraction radiation type: neutrons
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No