Information card for entry 7052017

Structure parameters

• Formula: C40 H58 N6 Zn2
• Calculated formula: C40 H58 N6 Zn2
• SMILES: C(C)[Zn]12[N](c3cccc(C(C)(C)C)n3)(c3cccc(C(C)(C)C)[n]23)[Zn]2(CC)[N]1(c1cccc(C(C)(C)C)n1)c1cccc(C(C)(C)C)[n]21
• 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: 25.716 ± 0.0019 Å
• b: 9.9469 ± 0.0012 Å
• c: 15.7295 ± 0.0014 Å
• α: 90°
• β: 96.67°
• γ: 90°
• Cell volume: 3996.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No