Information card for entry 7007745

Structure parameters

• Formula: C46 H46 O4 P2 Pd2
• Calculated formula: C46 H46 O4 P2 Pd2
• SMILES: C1(C(C)(C)C)=[O][Pd]234OC(C(C)(C)C)=[O][Pd]4(c4c([P]2(c2ccccc2)c2ccccc2)cccc4)(O1)[P](c1c3cccc1)(c1ccccc1)c1ccccc1
• Title of publication: Dinuclear palladium(II) compounds with bridging cyclometalated phosphines. Synthesis, crystal structure and electrochemical study.
• Authors of publication: Koshevoy, Igor O.; Lahuerta, Pascual; Sanaú, Mercedes; Ubeda, M. Angeles; Doménech, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 46
• Pages of publication: 5536 - 5541
• a: 10.939 ± 0.0003 Å
• b: 15.932 ± 0.0004 Å
• c: 23.58 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4109.53 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1598
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2549
• Weighted residual factors for all reflections included in the refinement: 0.3301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No