Information card for entry 4509524

Structure parameters

• Formula: C40 H34 F6 N10 O6 S2 Zn
• Calculated formula: C40 H34 F6 N10 O6 S2 Zn
• SMILES: c1(ccccc1)N[N]1=Cc2cccc3C=[N](Nc4ccccc4)[Zn]451([n]23)[N](=Cc1cccc(C=[N]5Nc2ccccc2)[n]41)Nc1ccccc1.C(F)(F)(S(=O)(=O)[O-])F.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Metallosupramolecular Architectures of Pseudoterpyridine-Type Ligands and ZnIIMetal Ions
• Authors of publication: Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; Petit, Eddy; Lee, Arie van der
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 2917
• a: 13.3943 ± 0.0003 Å
• b: 16.2129 ± 0.0004 Å
• c: 19.7183 ± 0.0005 Å
• α: 90°
• β: 96.844 ± 0.002°
• γ: 90°
• Cell volume: 4251.52 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• 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: 0.1259
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No