Information card for entry 7052016

Structure parameters

• Formula: C36 H48 N6 Zn
• Calculated formula: C36 H48 N6 Zn
• SMILES: [Zn]12([n]3c(N1c1nc(ccc1)C(C)(C)C)cccc3C(C)(C)C)[n]1c(N2c2nc(C(C)(C)C)ccc2)cccc1C(C)(C)C
• Title of publication: Synthesis of new dipyridinylamine and dipyridinylmethane ligands and their coordination chemistry with Mg(ii) and Zn(ii)
• Authors of publication: Zheng, Zhanjiang; Elmkaddem, Mohammed Kamal; Fischmeister, Cédric; Roisnel, Thierry; Thomas, Christophe M.; Carpentier, Jean-François; Renaud, Jean-Luc
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 2150
• a: 13.1083 ± 0.0002 Å
• b: 13.113 ± 0.0003 Å
• c: 20.455 ± 0.0004 Å
• α: 89.958 ± 0.001°
• β: 89.993 ± 0.001°
• γ: 89.977 ± 0.001°
• Cell volume: 3515.99 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.303
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No