Information card for entry 2011600

Structure parameters

• Chemical name: tetra-μ-acetato-O:O'-bis{[μ-1,4-bis(2-pyridyloxy)phenylene-N,C^2^:N',C^6^] dipalladium(II)} bis(trichloromethane) dihydrate
• Formula: C42 H38 Cl6 N4 O14 Pd4
• Calculated formula: C42 H34 Cl6 N4 O14 Pd4
• Title of publication: Cyclometallated compounds. XV. A tetranuclear acetate-bridged cyclopalladated molecular box
• Authors of publication: O'Keefe, Brendan J.; Steel, Peter J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1440 - 1441
• a: 12.225 ± 0.005 Å
• b: 15.052 ± 0.005 Å
• c: 14.135 ± 0.005 Å
• α: 90°
• β: 91.797 ± 0.005°
• γ: 90°
• Cell volume: 2599.7 ± 1.6 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes