Information card for entry 7214327

Structure parameters

• Formula: C130 H146 Br2 Co N8 O3 S16
• Calculated formula: C130 H144 Br2 Co N8 O3 S16
• 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: 28.197 ± 0.0008 Å
• b: 15.6401 ± 0.0004 Å
• c: 15.4989 ± 0.0004 Å
• α: 90°
• β: 100.242 ± 0.002°
• γ: 90°
• Cell volume: 6726.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No