Information card for entry 7013346

Structure parameters

• Formula: C30 H71 Cl6 N13 O13 Zn3
• Calculated formula: C30 H64 Cl6 N13 O13 Zn3
• Title of publication: Zn(ii) coordination to tren-based tris-macrocycles. Activity of their trinuclear Zn(ii) complexes in carboxy- and phosphate-ester hydrolysisElectronic supplementary information (ESI) available: ligand protonation constants determined in 0.1 mol dm?3 NMe4NO3 solutions at 298.1 K and 308.1 K. See http://www.rsc.org/suppdata/dt/b3/b306577d/
• Authors of publication: Bazzicalupi, Carla; Bencini, Andrea; Berni, Emanuela; Giorgi, Claudia; Maoggi, Sauro; Valtancoli, Barbara
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 3574
• a: 7.939 ± 0.001 Å
• b: 29.539 ± 0.001 Å
• c: 22.459 ± 0.004 Å
• α: 90°
• β: 99 ± 0.005°
• γ: 90°
• Cell volume: 5202 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.117
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2379
• Weighted residual factors for all reflections included in the refinement: 0.2764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No