Information card for entry 4073974

Structure parameters

• Formula: C31 H33 Cl5 N2 Pd
• Calculated formula: C31 H33 Cl5 N2 Pd
• SMILES: c1c(C)ccc2C(c3ccc(c[n]3[Pd](Cl)(Cl)[n]12)C)C(c1ccc(C)cc1C)c1ccc(C)cc1C.C(Cl)(Cl)Cl
• Title of publication: Ethylene Polymerization by Sterically Crowded Palladium(II) Complexes that Contain Bis(heterocycle)methane Ligands
• Authors of publication: Burns, Christopher T.; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 6737
• a: 19.916 ± 0.005 Å
• b: 8.403 ± 0.002 Å
• c: 19.238 ± 0.005 Å
• α: 90°
• β: 98.87 ± 0.004°
• γ: 90°
• Cell volume: 3181.1 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No