Information card for entry 4061499

Structure parameters

• Formula: C16 H18 Br2 N2 O3 Pd S
• Calculated formula: C16 H18 Br2 N2 O3 Pd S
• SMILES: C12N(C=CO1)Cc1ccccc1CN1C(OC=C1)=[Pd]=2(Br)Br.CS(C)=O
• Title of publication: A Simple Route to Novel Palladium(II) Catalysts with Oxazolin-2-ylidene Ligands
• Authors of publication: Tubaro, Cristina; Biffis, Andrea; Basato, Marino; Benetollo, Franco; Cavell, Kingsley J.; Ooi, Li-ling
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 17
• Pages of publication: 4153 - 4158
• a: 11.825 ± 0.0002 Å
• b: 13.276 ± 0.0002 Å
• c: 13.305 ± 0.0002 Å
• α: 78.086 ± 0.001°
• β: 73.935 ± 0.001°
• γ: 85.033 ± 0.001°
• Cell volume: 1962.97 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No