Information card for entry 7052187

Structure parameters

• Common name: Bis(morpholine-N-yl-N`- (diisopropoxyphosphinyl)thiocarboxamide-O,S)palladium(ii)
• Chemical name: Bis[morpholine-N-yl-N`- (diisopropoxyphosphinyl)thiocarboxamide-O,S]palladium(II)
• Formula: C22 H44 N4 O8 P2 Pd S2
• Calculated formula: C22 H44 N4 O8 P2 Pd S2
• SMILES: [Pd]12(SC(=NP(=[O]1)(OC(C)C)OC(C)C)N1CCOCC1)SC(=NP(=[O]2)(OC(C)C)OC(C)C)N1CCOCC1
• Title of publication: The influence of the intramolecular hydrogen bond on the 1,3-N,S- and 1,5-O,S-coordination of N-phosphoryl-N′-(R)-thioureas with Ni(ii) and Pd(ii)
• Authors of publication: Sokolov, Felix D.; Baranov, Sergey V.; Safin, Damir A.; Hahn, F. Ekkehardt; Kubiak, Maria; Pape, Tania; Babashkina, Maria G.; Zabirov, Nail G.; Galezowska, Joanna; Kozlowski, Henryk; Cherkasov, Rafael A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 1661
• a: 18.747 ± 0.004 Å
• b: 17.566 ± 0.004 Å
• c: 19.95 ± 0.004 Å
• α: 90°
• β: 100.046 ± 0.005°
• γ: 90°
• Cell volume: 6469 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0959
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No