Information card for entry 2016250

Structure parameters

• Chemical name: catena-Poly[[aqua(1,10-phenanthroline-κ^2^N,N')zinc(II)]- μ-5-[4-(hydroxymethyl)benzyloxy]isophthalato-κ^3^O^1^,O^1'^:O^3^- [aqua(1,10-phenanthroline-κ^2^N,N')zinc(II)]- μ-5-[4-(hydroxymethyl)benzyloxy]isophthalato-κ^2^O^1^:O^3^]
• Formula: C56 H44 N4 O14 Zn2
• Calculated formula: C56 H44 N4 O14 Zn2
• SMILES: [Zn]12([n]3cccc4ccc5ccc[n]1c5c34)([OH2])(OC(=O)c1cc(cc(OCc3ccc(cc3)CO)c1)C(=O)O[Zn]13([n]4cccc5ccc6ccc[n]1c6c45)([OH2])[O]=C(O3)c1cc(cc(OCc3ccc(cc3)CO)c1)C(=O)[O-])[O]=C(O2)c1cc(cc(OCc2ccc(cc2)CO)c1)C1=[O][Zn]2([n]3cccc4ccc5ccc[n]2c5c34)([OH2])(OC(=O)c2cc(cc(OCc3ccc(cc3)CO)c2)C(=O)O[Zn]2([n]3cccc4ccc5ccc[n]2c5c34)[OH2])O1
• Title of publication: <i>catena</i>-Poly[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-5-[4-(hydroxymethyl)benzyloxy]isophthalato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^-[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-5-[4-(hydroxymethyl)benzyloxy]isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^]
• Authors of publication: E Yang; Xu-Chun Song; Li-Hua Wang; You-Dan Lin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m481 - m483
• a: 10.6016 ± 0.0002 Å
• b: 12.2791 ± 0.0003 Å
• c: 19.6827 ± 0.0005 Å
• α: 105.222 ± 0.001°
• β: 92.632 ± 0.001°
• γ: 103.886 ± 0.001°
• Cell volume: 2383.82 ± 0.1 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.2002
• 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