Information card for entry 4506526

Structure parameters

• Formula: C38 H72 Br8 F12 N2 Zn
• Calculated formula: C38 H72 Br8 F12 N2 Zn
• Title of publication: Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes
• Authors of publication: Rosokha, Sergiy V.; Vinakos, Michael K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4149
• a: 15.0828 ± 0.0003 Å
• b: 15.0828 ± 0.0003 Å
• c: 24.7518 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5630.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No