Information card for entry 2216726

Structure parameters

• Chemical name: Bis(μ-4-formyl-2-methoxyphenolato)bis[aquachloridozinc(II)] dihydrate
• Formula: C16 H22 Cl2 O10 Zn2
• Calculated formula: C16 H22 Cl2 O10 Zn2
• SMILES: [OH2][Zn]12([O](c3ccc(cc3[O]2C)C=O)[Zn]2([O]1c1ccc(cc1[O]2C)C=O)(Cl)[OH2])Cl.O.O
• Title of publication: Bis(μ-4-formyl-2-methoxyphenolato)bis[aquachloridozinc(II)] dihydrate
• Authors of publication: Hang-Ming Guo; Hui-Duo Xian; Guo-Liang Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3008 - m3008
• a: 7.0896 ± 0.0006 Å
• b: 15.9772 ± 0.001 Å
• c: 10.1193 ± 0.0007 Å
• α: 90°
• β: 107.559 ± 0.004°
• γ: 90°
• Cell volume: 1092.83 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes