Information card for entry 7044726

Structure parameters

• Formula: C54 H58 O2 P2 Pd S2
• Calculated formula: C54 H58 O2 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: 17.9561 ± 0.0001 Å
• b: 17.9561 ± 0.0001 Å
• c: 14.8394 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4784.54 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No