Information card for entry 7212834

Structure parameters

• Formula: C48 H36 I2 N4 O2 Zn
• Calculated formula: C48 H36 I2 N4 O2 Zn
• SMILES: I[Zn](I)([n]1ccc(cc1)/C=N/c1cc(c(O)c(c1)c1ccccc1)c1ccccc1)[n]1ccc(cc1)/C=N/c1cc(c(O)c(c1)c1ccccc1)c1ccccc1
• Title of publication: Diamondoid and square-grid networks based on bent wheel-and-axle diols
• Authors of publication: Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Pelagatti, Paolo
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4226
• a: 18.9037 ± 0.0001 Å
• b: 18.9037 ± 0.0001 Å
• c: 11.8392 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4230.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No