Information card for entry 4062644

Structure parameters

• Formula: C33 H33 N3 O6 Pd S3
• Calculated formula: C33 H33 N3 O6 Pd S3
• SMILES: [Pd]12345C6CN(S(=O)(=O)c7ccc(cc7)C)CC5=C4CN(S(=O)(=O)c4ccc(cc4)C)CC3=C2CN(S(=O)(=O)c2ccc(cc2)C)CC1=6
• Title of publication: Synthesis of Nitrogen-Containing 15-Membered Triacetylenic Macrocycles. Stable Complex with Palladium(0)
• Authors of publication: Pla-Quintana, Anna; Roglans, Anna; Torrent, Anna; Moreno-Mañas, Marcial; Benet-Buchholz, Jordi
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 8.5644 ± 0.0007 Å
• b: 10.4573 ± 0.0009 Å
• c: 35.603 ± 0.003 Å
• α: 90°
• β: 94.302 ± 0.004°
• γ: 90°
• Cell volume: 3179.6 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No