Information card for entry 7214328

Structure parameters

• Formula: C129 H140 Cl4 Fe2 N8 O S16
• Calculated formula: C129 H140 Cl4 Fe2 N8 O 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: 11.4791 ± 0.0004 Å
• b: 14.2338 ± 0.0004 Å
• c: 21.6211 ± 0.0005 Å
• α: 87.817 ± 0.001°
• β: 81.183 ± 0.001°
• γ: 66.381 ± 0.001°
• Cell volume: 3197.45 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.148
• 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: Yes
• Has Fobs: No