Information card for entry 7112962

Structure parameters

• Formula: C22 H22 Cl N3 Pd
• Calculated formula: C22 H22 Cl N3 Pd
• SMILES: [Pd]1(N(C(=CC(=[N]1c1ccccc1)C)C)c1ccccc1)(Cl)[n]1ccccc1
• Title of publication: Unusual transmetallation-induced formation of a C2-symmetric tetrapallada-macrocycle.
• Authors of publication: Annibale, Vincent T.; Lund, Liisa M.; Song, Datong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 43
• Pages of publication: 8261 - 8263
• a: 6.452 ± 0.0005 Å
• b: 10.736 ± 0.001 Å
• c: 29.278 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2028 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c 21 b
• Hall space group symbol: P -2bc -2c
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No