Information card for entry 4332429

Structure parameters

• Formula: C78 H103 N6 O31 S6 Zn7
• Calculated formula: C78 H102 N6 O31 S6 Zn7
• 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: 12.036 ± 0.0011 Å
• b: 26.181 ± 0.003 Å
• c: 26.547 ± 0.003 Å
• α: 118.824 ± 0.003°
• β: 93.44 ± 0.003°
• γ: 90.154 ± 0.003°
• Cell volume: 7310.9 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No