Information card for entry 2225765

Structure parameters

• Chemical name: Tetrakis(μ-2-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(methanol- κ<i>O</i>)copper(II)]
• Formula: C34 H36 Cu2 O10
• Calculated formula: C34 H36 Cu2 O10
• SMILES: [Cu]1234([Cu]([O]=C(O1)c1c(cccc1)C)([O]=C(O2)c1c(cccc1)C)([OH]C)([O]=C(O3)c1c(cccc1)C)[O]=C(O4)c1c(cccc1)C)[OH]C
• Title of publication: Tetrakis(μ-2-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(methanol-κ<i>O</i>)copper(II)]
• Authors of publication: Danish, Muhammad; Saleem, Iram; Tahir, M. Nawaz; Ahmad, Nazir; Raza, Abdur Rauf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m528
• a: 10.7474 ± 0.0009 Å
• b: 12.1403 ± 0.0011 Å
• c: 14.1709 ± 0.0011 Å
• α: 113.805 ± 0.002°
• β: 91.096 ± 0.003°
• γ: 93.238 ± 0.003°
• Cell volume: 1687.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes