Information card for entry 2006321

Structure parameters

• Chemical name: tetrakis(μ-benzoato-O:O')-bis(urea-O')dicopper(II),
• Formula: C30 H28 Cu2 N4 O10
• Calculated formula: C30 H28 Cu2 N4 O10
• SMILES: [Cu]1234([O]=C(c5ccccc5)O[Cu]2([O]=C(c2ccccc2)O1)([O]=C(N)N)(OC(c1ccccc1)=[O]3)[O]=C(c1ccccc1)O4)[O]=C(N)N
• Title of publication: Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(urea)-1κ<i>O</i>,2κ<i>O</i>-dicopper(II)
• Authors of publication: Leban, Ivan; Grgurevič, Nikolaj; Sieler, Joachim; Šegedin, Primož
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 854 - 856
• a: 26.162 ± 0.007 Å
• b: 26.162 ± 0.007 Å
• c: 13.633 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8081 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1588
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections: 0.2588
• Weighted residual factors for significantly intense reflections: 0.1985
• Goodness-of-fit parameter for all reflections: 0.99
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No