Information card for entry 4083091

Structure parameters

• Formula: C62 H74 N6 O4 Pd2
• Calculated formula: C62 H74 N6 O4 Pd2
• SMILES: c12c(N([Pd]3([N](=Nc4c3cccc4)c3ccccc3)O1)c1c(cccc1C(C)C)C(C)C)cc1c(c2)N([Pd]2([N](=Nc3c2cccc3)c2ccccc2)O1)c1c(cccc1C(C)C)C(C)C.CCOCC.CCOCC
• Title of publication: Dinuclear Quinonoid-Bridged d8Metal Complexes with Redox-Active Azobenzene Stoppers: Electrochemical Properties and Electrochromic Behavior
• Authors of publication: Deibel, Naina; Sommer, Michael G.; Hohloch, Stephan; Schwann, Johannes; Schweinfurth, David; Ehret, Fabian; Sarkar, Biprajit
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4756
• a: 12.374 ± 0.003 Å
• b: 17.52 ± 0.004 Å
• c: 13.629 ± 0.003 Å
• α: 90°
• β: 106.23 ± 0.03°
• γ: 90°
• Cell volume: 2836.9 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.076
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No