Information card for entry 7115910

Structure parameters

• Formula: C18 H12 I2 N6 Zn
• Calculated formula: C18 H12 I2 N6 Zn
• Title of publication: Single-crystal growth of coordination networks via the gas phase and dependence of iodine encapsulation on the crystal size
• Authors of publication: Tatsuhiro Kojima; Wanuk Choi; Masaki Kawano
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13793
• a: 8.6889 ± 0.0001 Å
• b: 12.4675 ± 0.0001 Å
• c: 19.3325 ± 0.0001 Å
• α: 90°
• β: 95.3245 ± 0.0002°
• γ: 90°
• Cell volume: 2085.23 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No