Information card for entry 4082761

Structure parameters

• Formula: C126.22 H102.18 O13 Zn4
• Calculated formula: C126.36 H102.306 O13 Zn4
• Title of publication: Conversion Between Doubly and Triply Carboxylate-Bridged Di(ethylzinc) Complexes and Formation of the (μ-Oxo)tetrazinc Carboxylate [Zn4O(Ar(Tol)CO2)6].
• Authors of publication: Minier, Mikael A.; Lippard, Stephen J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 6
• Pages of publication: 1462 - 1466
• a: 24.9722 ± 0.0006 Å
• b: 24.9722 ± 0.0006 Å
• c: 14.2207 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7680.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.258
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No