Information card for entry 7016868

Structure parameters

• Formula: C70 H76 Cl8 N6 O10 P2 Zn2
• Calculated formula: C70 H76 Cl8 N6 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: 8.8886 ± 0.0014 Å
• b: 21.225 ± 0.004 Å
• c: 19.39 ± 0.003 Å
• α: 90°
• β: 90.878 ± 0.008°
• γ: 90°
• Cell volume: 3657.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.2536
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No