Information card for entry 7016865

Structure parameters

• Formula: C66 H70 N4 O10 P2 Zn2
• Calculated formula: C66 H70 N4 O10 P2 Zn2
• Title of publication: Zn(ii) Robson macrocycles as templates for chelating diphosphines.
• Authors of publication: Ponsico, Sergio; Gulyas, Henrik; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10686 - 10697
• a: 18.8474 ± 0.0012 Å
• b: 7.85 ± 0.0005 Å
• c: 20.6464 ± 0.0013 Å
• α: 90°
• β: 98.266 ± 0.003°
• γ: 90°
• Cell volume: 3022.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No