Information card for entry 2234877

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato- κ^2^<i>O</i>^2^:<i>O</i>^3^] [[(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato- κ^2^<i>O</i>^2^:<i>O</i>^3^]]
• Formula: C40 H32 Cl2 N4 O9 Zn2
• Calculated formula: C40 H32 Cl2 N4 O9 Zn2
• SMILES: [Zn]1([OH2])([n]2c(c3[n]1ccc(c3)C)cc(cc2)C)OC(=O)c1c(c(Cl)ccc1)C(=O)O[Zn]1([OH2])([n]2c(c3[n]1ccc(c3)C)cc(cc2)C)OC(=O)c1c(c(Cl)ccc1)C(=O)[O-].[Zn]1([n]2ccc(C)cc2c2[n]1ccc(c2)C)OC(=O)c1c(c(Cl)ccc1)C(=O)O[Zn]1([n]2ccc(C)cc2c2[n]1ccc(c2)C)OC(=O)c1c(c(Cl)ccc1)C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[aqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato-κ^2^<i>O</i>^2^:<i>O</i>^3^] [[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato-κ^2^<i>O</i>^2^:<i>O</i>^3^]]
• Authors of publication: Zhu, Yu; Li, Hai-Yang; Ma, Ming-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m574 - m575
• a: 34.05 ± 0.004 Å
• b: 14.1831 ± 0.001 Å
• c: 7.8764 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3803.8 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes