Information card for entry 4061320

Structure parameters

• Common name: (por)PdAcCl
• Formula: C61 H45 Cl3 N4 O2 Pd
• Calculated formula: C61 H45 Cl3 N4 O2 Pd
• SMILES: C12=C(C3=CC=C4C(=C5C=CC(=C(C6=CC=C7C(=C(C=C1)N2C(C(c1ccccc1)N67)c1ccccc1)c1ccccc1)c1ccccc1)N5[Pd](C(=O)C)(Cl)N34)c1ccccc1)c1ccccc1.C(Cl)Cl.O
• Title of publication: Insertion of CO and Alkenes into the (methyl)Pd Complexes of the Bidentate Porphyrin Ligand
• Authors of publication: Setsune, Jun-ichiro; Yamauchi, Takashi; Tanikawa, Sachiko; Hirose, Yuka; Watanabe, Jun-ya
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 25
• Pages of publication: 6058 - 6065
• a: 11.8443 ± 0.001 Å
• b: 18.6502 ± 0.0015 Å
• c: 24.072 ± 0.002 Å
• α: 90°
• β: 103.482 ± 0.002°
• γ: 90°
• Cell volume: 5170.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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