Information card for entry 2240850

Structure parameters

• Chemical name: μ-Chlorido-1:2κ^2^<i>Cl</i>:<i>Cl</i>-chlorido-2κ<i>Cl</i>-bis(2-methoxyethanol-1κ<i>O</i>)bis(2-methoxyethanol-1κ^2^<i>O</i>,<i>O</i>')bis(μ-triphenylacetato-1:2κ^2^<i>O</i>:<i>O</i>')bariumzinc
• Formula: C52 H62 Ba Cl2 O12 Zn
• Calculated formula: C52 H62 Ba Cl2 O12 Zn
• SMILES: [Ba]1234([Cl][Zn](Cl)(OC(=[O]1)C(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=[O]3)C(c1ccccc1)(c1ccccc1)c1ccccc1)([OH]CC[O]4C)([OH]CCOC)([OH]CCOC)[OH]CC[O]2C
• Title of publication: Crystal structure of a mixed-ligand dinuclear Ba—Zn complex with 2-methoxyethanol having triphenylacetate and chloride bridges
• Authors of publication: Utko, Józef; Sobocińska, Maria; Dobrzyńska, Danuta; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: 791 - 794
• a: 9.706 ± 0.003 Å
• b: 10.643 ± 0.003 Å
• c: 25.073 ± 0.006 Å
• α: 89.62 ± 0.03°
• β: 89.26 ± 0.03°
• γ: 82.73 ± 0.03°
• Cell volume: 2569 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes