Information card for entry 4062322

Structure parameters

• Formula: C45.5 H49 Cl5 N4 Pd
• Calculated formula: C45.5 H49 Cl5 N4 Pd
• SMILES: [Pd]1(Cl)(Cl)=C2N(C(=CN2C(c2ccccc2)c2ccccc2)C(C)C)[C@@H]2CCCC[C@H]2N2C=1N(C=C2C(C)C)C(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• Title of publication: Synthesis of Constrained-Geometry Chiral Di-N-Heterocyclic Carbene Ligands and Their Silver(I) and Palladium(II) Complexes
• Authors of publication: Bonnet, Ludovic G.; Douthwaite, Richard E.; Hodgson, Richard
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 22
• Pages of publication: 4384 - 4386
• a: 11.4458 ± 0.0009 Å
• b: 12.5768 ± 0.001 Å
• c: 16.2774 ± 0.0013 Å
• α: 99.443 ± 0.002°
• β: 90.387 ± 0.002°
• γ: 94.486 ± 0.002°
• Cell volume: 2303.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No