Information card for entry 7240913

Structure parameters

• Formula: C38 H28 I2 N4 O6 Zn
• Calculated formula: C38 H28 I2 N4 O6 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: 14.2615 ± 0.0006 Å
• b: 8.9996 ± 0.0003 Å
• c: 29.6078 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3800.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No