Information card for entry 2232595

Structure parameters

• Chemical name: Aqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato- κ<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')zinc
• Formula: C12 H14 N4 O7 Zn
• Calculated formula: C12 H14 N4 O7 Zn
• SMILES: c1cc(C)cc2c3cc(C)cc[n]3[Zn]3([n]12)(ON(=[O]3)=O)(ON(=O)=O)[OH2]
• Title of publication: Aqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')zinc
• Authors of publication: Shirvan, Sadif A.; Haydari Dezfuli, Sara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1866 - m1867
• a: 10.9266 ± 0.0005 Å
• b: 8.5717 ± 0.0003 Å
• c: 16.8073 ± 0.0007 Å
• α: 90°
• β: 97.873 ± 0.004°
• γ: 90°
• Cell volume: 1559.33 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes