Information card for entry 7021434

Structure parameters

• Formula: C30 H30 O8 Pd2
• Calculated formula: C30 H30 O8 Pd2
• SMILES: [Pd]12(OC(=C(C(=[O]2)C)C2=C(C)O[Pd]3(OC(=CC(=[O]3)c3ccccc3)C)[O]=C2C)C)OC(=CC(=[O]1)c1ccccc1)C
• Title of publication: Axially chiral monomeric and dimeric square planar Pd(ii) complexes and their application to chiral tectonics.
• Authors of publication: Sato, Hisako; Morimoto, Kazuya; Mori, Yukie; Shinagawa, Yuji; Kitazawa, Takafumi; Yamagishi, Akihiko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7579 - 7585
• a: 11.32 ± 0.005 Å
• b: 33.405 ± 0.013 Å
• c: 15.802 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5975 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1452
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.713
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No