Information card for entry 4513646

Structure parameters

• Formula: C25 H25 N14 O13 Zn2
• Calculated formula: C25 H25 N14 O13 Zn2
• SMILES: [Zn]123([n]4cccc(C5n6[n]([Zn]7([n]8n5ccc8)([n]5cccc(C(n8[n]1ccc8)n1[n]2ccc1)c5)(ON(=[O]7)=O)ON(=O)=O)ccc6)c4)(ON(=[O]3)=O)ON(=O)=O.CO
• Title of publication: One- and Two-Step Self-Assembly Processes in Zn(II) Supramolecular Frameworks with Ditopic Bis(pyrazolyl)methane Ligands. Chiral Recognition and Formation of Cyclic Helicates
• Authors of publication: Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5174
• a: 34.25 ± 0.004 Å
• b: 13.4692 ± 0.0013 Å
• c: 16.482 ± 0.0016 Å
• α: 90°
• β: 117.008 ± 0.002°
• γ: 90°
• Cell volume: 6774.3 ± 1.2 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• 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: 0.0977
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No