Information card for entry 2208618

Structure parameters

• Chemical name: catena-Poly[[bis(1,3-propylenediamine)zinc(II)]-μ-naphthalene-2,6- dicarboxylato-κ^2^O^2^:O^6^]
• Formula: C18 H26 N4 O4 Zn
• Calculated formula: C18 H26 N4 O4 Zn
• SMILES: [Zn]12([NH2]CCC[NH2]1)([NH2]CCC[NH2]2)(OC(=O)c1ccc2cc(ccc2c1)C(=O)O[Zn]12([NH2]CCC[NH2]1)[NH2]CCC[NH2]2)OC(=O)c1ccc2cc(C(=O)[O-])ccc2c1
• Title of publication: <i>catena</i>-Poly[[bis(1,3-propylenediamine)zinc(II)]-μ-naphthalene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^]
• Authors of publication: Rong Yu; Ya-Qi Jiang; Zhao-Xiong Xie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m736 - m737
• a: 9.7497 ± 0.0005 Å
• b: 10.156 ± 0.0005 Å
• c: 10.2458 ± 0.0005 Å
• α: 90°
• β: 96.521 ± 0.001°
• γ: 90°
• Cell volume: 1007.95 ± 0.09 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No