Information card for entry 7228216

Structure parameters

• Formula: C60.3 H42.3 N8 O17 Zn2
• Calculated formula: C60.3 H42.3 N8 O17 Zn2
• Title of publication: A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers
• Authors of publication: Boer, Stephanie A.; Turner, David R.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 2402
• a: 17.345 ± 0.004 Å
• b: 22.362 ± 0.005 Å
• c: 13.817 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5359 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No