Information card for entry 7214325

Structure parameters

• Formula: C68 H72 Br2 Cd Cl12 N4 O4 S4
• Calculated formula: C68 H70 Br2 Cd Cl12 N4 O4 S4
• Title of publication: Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons
• Authors of publication: Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 3765
• a: 27.1683 ± 0.0011 Å
• b: 15.3846 ± 0.0005 Å
• c: 19.2713 ± 0.0009 Å
• α: 90°
• β: 98.162 ± 0.002°
• γ: 90°
• Cell volume: 7973.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2313
• Weighted residual factors for all reflections included in the refinement: 0.2548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No