Information card for entry 7115911

Structure parameters

• Formula: C36 H24 I6 N12 Zn3
• Calculated formula: C36 H24 I6 N12 Zn3
• 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: 12.8127 ± 0.0002 Å
• b: 29.8455 ± 0.0005 Å
• c: 6.6007 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2524.12 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.2168
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No