Information card for entry 4332430

Structure parameters

• Formula: C168 H194 N12 O50 Zn14
• Calculated formula: C167.918 H193.874 N12 O50 Zn14
• Title of publication: Heptametallic Bowl-Shaped Complexes Derived from Conjugated Schiff-Base Macrocycles: Synthesis, Characterization, and X-ray Crystal Structures
• Authors of publication: Gallant, Amanda J.; Chong, Jonathan H.; MacLachlan, Mark J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5248 - 5250
• a: 27.342 ± 0.005 Å
• b: 38.204 ± 0.005 Å
• c: 20.526 ± 0.005 Å
• α: 90°
• β: 113.343 ± 0.005°
• γ: 90°
• Cell volume: 19686 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1013
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No