Information card for entry 4100991

Structure parameters

• Formula: C88 H116 Cl2 N4 P2 Pd2
• Calculated formula: C88 H116 Cl2 N4 P2 Pd2
• SMILES: [Pd]1([P](C[C@H](C#N)C)(C23CC4CC(C3)CC(C2)C4)C23CC4CC(C3)CC(C2)C4)(Cl)[N](C)(C)[C@H](C)c2c1ccc1ccccc21.c1ccccc1
• Title of publication: 3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors
• Authors of publication: Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.44 ± 0.002 Å
• b: 16.326 ± 0.003 Å
• c: 41.174 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7690 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No