Information card for entry 4347827

Structure parameters

• Formula: C12 H24 Br7 O6 Zn2
• Calculated formula: C12 H24 Br7 O6 Zn2
• Title of publication: Bromine-rich Zinc Bromides: Zn6Br12(18-crown-6)2×(Br2)5, Zn4Br8(18-crown-6)2×(Br2)3, and Zn6Br12(18-crown-6)2\τimes (Br2)2.
• Authors of publication: Hausmann, David; Feldmann, Claus
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 6141 - 6147
• a: 8.2271 ± 0.0016 Å
• b: 10.418 ± 0.002 Å
• c: 15.527 ± 0.003 Å
• α: 98.48 ± 0.03°
• β: 101.72 ± 0.03°
• γ: 99.71 ± 0.03°
• Cell volume: 1261.4 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No