Information card for entry 7044727

Structure parameters

• Formula: C46 H54 O3.5 P2 Pd S2
• Calculated formula: C46 H54 O3.5 P2 Pd S2
• Title of publication: Regioisomerism in coordination chemistry: oxidative addition of bifunctional ligand to palladium, stabilized with 1,2-bis(diphenylphosphino)ethane
• Authors of publication: Martyanov, Konstantin A.; Cherkasov, Vladimir Kuz'mich; Abakumov, Gleb Arsent'evich; Baranov, Evgeny V.; Shavyrin, Andrey; Kuropatov, Viacheslav
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 10.956 ± 0.0003 Å
• b: 12.6502 ± 0.0004 Å
• c: 17.8929 ± 0.0006 Å
• α: 100.177 ± 0.001°
• β: 106.263 ± 0.001°
• γ: 108.579 ± 0.001°
• Cell volume: 2158.08 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No