Information card for entry 2218161

Structure parameters

• Chemical name: Bis(μ-2,2'-oxydibenzoato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')βis[(4,4'-dimethyl-2,2'- bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)] dihydrate
• Formula: C52 H44 N4 O12 Zn2
• Calculated formula: C52 H44 N4 O12 Zn2
• SMILES: c12ccccc1C(=O)O[Zn]13([n]4ccc(C)cc4c4[n]1ccc(c4)C)[O]=C(c1ccccc1Oc1ccccc1C(=O)O[Zn]14([n]5ccc(C)cc5c5[n]1ccc(c5)C)[O]=C(c1ccccc1O2)O4)O3.O.O
• Title of publication: Bis(μ-2,2'-oxydibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)] dihydrate
• Authors of publication: Cui, Hong; Li, Wen-Juan; Tao, Ruo-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m697
• a: 10.425 ± 0.002 Å
• b: 10.866 ± 0.002 Å
• c: 11.96 ± 0.002 Å
• α: 68.413 ± 0.004°
• β: 66.721 ± 0.003°
• γ: 78.348 ± 0.004°
• Cell volume: 1154.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes