Information card for entry 7016867

Structure parameters

• Formula: C60 H50 N4 O8 P2 Zn2
• Calculated formula: C60 H50 N4 O8 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: 18.819 ± 0.005 Å
• b: 6.9218 ± 0.0016 Å
• c: 19.998 ± 0.005 Å
• α: 90°
• β: 100.119 ± 0.013°
• γ: 90°
• Cell volume: 2564.4 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1543
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No