Information card for entry 7112964

Structure parameters

• Formula: C46 H44 Cl4 N4 Pd4
• Calculated formula: C46 H44 Cl4 N4 Pd4
• SMILES: CC1C2C(C)=[N]([Pd]3([N]=1c1ccccc1)[Cl][Pd](C1C(C)=[N](c4ccccc4)[Pd]4([N](=C1C)c1ccccc1)[Cl][Pd]2(c1ccccc1)[Cl]4)(c1ccccc1)[Cl]3)c1ccccc1
• 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: 21.5383 ± 0.0008 Å
• b: 13.627 ± 0.0003 Å
• c: 18.8184 ± 0.0006 Å
• α: 90°
• β: 124.523 ± 0.0011°
• γ: 90°
• Cell volume: 4550.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No