Information card for entry 7019464

Structure parameters

• Formula: C27 H34 Cl2 Cu2 N6 O10
• Calculated formula: C27 H34 Cl2 Cu2 N6 O10
• Title of publication: Doubly phenoxo-hydroxo-bridged dicopper(ii) complexes: individual contributions of the bridges to antiferromagnetic coupling based on two related biomimetic models for catechol oxidases.
• Authors of publication: Rey, Nicolás A; Neves, Ademir; Bortoluzzi, Adailton J.; Haase, Wolfgang; Tomkowicz, Zbigniew
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7196 - 7200
• a: 16.607 ± 0.001 Å
• b: 11.022 ± 0.002 Å
• c: 17.33 ± 0.001 Å
• α: 90°
• β: 91.561 ± 0.005°
• γ: 90°
• Cell volume: 3170.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No