Information card for entry 2221458

Structure parameters

• Chemical name: Bis[μ-5-(5-carboxylato-3-pyridyl)tetrazolato- κ^3^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^2^]bis[triaquazinc(II)]
• Formula: C14 H18 N10 O10 Zn2
• Calculated formula: C14 H18 N10 O10 Zn2
• SMILES: C(=O)(c1ccc2c3[n]4[Zn](n5[n]6c(c7ccc(C(=O)[O-])c[n]7[Zn]6(n4nn3)([OH2])([OH2])[OH2])nn5)([n]2c1)([OH2])([OH2])[OH2])[O-]
• Title of publication: Bis[μ-5-(5-carboxylato-3-pyridyl)tetrazolato-κ^3^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^2^]bis[triaquazinc(II)]
• Authors of publication: Yin, Haoyong; Wang, Ling; Nie, Qiulin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m425
• a: 12.751 ± 0.005 Å
• b: 12.685 ± 0.004 Å
• c: 6.992 ± 0.003 Å
• α: 90°
• β: 104.914 ± 0.004°
• γ: 90°
• Cell volume: 1092.8 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes