Information card for entry 7240915

Structure parameters

• Formula: C24 H18 Br2 I2 N4 O2 Zn
• Calculated formula: C24 H18 Br2 I2 N4 O2 Zn
• Title of publication: The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry
• Authors of publication: Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 9.7184 ± 0.0002 Å
• b: 27.7576 ± 0.0006 Å
• c: 9.8707 ± 0.0002 Å
• α: 90°
• β: 91.04 ± 0.002°
• γ: 90°
• Cell volume: 2662.28 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0521
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No