Information card for entry 7102499

Structure parameters

• Formula: C18 H20 N8 O6 Zn
• Calculated formula: C18 H20 N8 O6 Zn
• SMILES: [Zn]123([N](Cc4[n]1cccc4)(Cc1[n]2c(ccc1)N)Cc1[n]3c(ccc1)N)ON(=O)=O.N(=O)(=O)[O-]
• Title of publication: The affinity of phosphates to zinc(II) complexes can be increased with hydrogen bond donors.
• Authors of publication: Mareque-Rivas, Juan C; Torres Martín de Rosales, Rafael; Parsons, Simon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 610 - 611
• a: 14.7313 ± 0.0012 Å
• b: 13.7642 ± 0.0011 Å
• c: 21.372 ± 0.002 Å
• α: 90°
• β: 104.67 ± 0.004°
• γ: 90°
• Cell volume: 4192.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No