Information card for entry 7245643

Structure parameters

• Formula: C6 H18 Br4 N2 Zn
• Calculated formula: C6 H18 Br4 N2 Zn
• Title of publication: Organic–inorganic hybrid [NH3(CH2)6NH3]ZnBr4 crystal: structural characterization, phase transitions, thermal properties, and structural dynamics
• Authors of publication: Lim, Ae Ran; Ju, Huiyeong
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 44
• Pages of publication: 28720 - 28727
• a: 7.7833 ± 0.0002 Å
• b: 14.5312 ± 0.0004 Å
• c: 13.2396 ± 0.0003 Å
• α: 90°
• β: 90.865 ± 0.001°
• γ: 90°
• Cell volume: 1497.24 ± 0.07 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No