Information card for entry 7053211

Structure parameters

• Formula: C36 H36 F12 N6 O6 P2 Zn
• Calculated formula: C36 H36 F12 N6 O6 P2 Zn
• SMILES: [Zn]123([n]4ccc(OC)cc4c4[n]1ccc(OC)c4)([n]1ccc(OC)cc1c1[n]2ccc(OC)c1)[n]1ccc(OC)cc1c1[n]3ccc(OC)c1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 2,2′-Bipyridine Zn(ii) complexes: effect of the 4,4′ substituents on the crystalline solid state properties
• Authors of publication: Yadav, Yogesh J.; Mastropietro, Teresa F.; Szerb, Elisabeta Ildyko; Talarico, Anna Maria; Pirillo, Sante; Pucci, Daniela; Crispini, Alessandra; Ghedini, Mauro
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 5
• Pages of publication: 1486
• a: 11.354 ± 0.003 Å
• b: 13.202 ± 0.004 Å
• c: 15.056 ± 0.005 Å
• α: 76.794 ± 0.013°
• β: 76.652 ± 0.013°
• γ: 83.772 ± 0.013°
• Cell volume: 2134.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No