Information card for entry 7025165

Structure parameters

• Formula: C38 H47 Cl3 N4 O Pd2
• Calculated formula: C38 H47 Cl3 N4 O Pd2
• SMILES: [Pd]12(Cl)[Cl][Pd]3(Cl)[n]4n1c(C=[N]2c1c(cccc1C(C)C)C(C)C)c(c4C=[N]3c1c(cccc1C(C)C)C(C)C)c1ccccc1.O=C(C)C
• Title of publication: Highly preorganized pyrazolate-bridged palladium(II) and nickel(II) complexes in bimetallic norbornene polymerization.
• Authors of publication: Sachse, Anna; Demeshko, Serhiy; Dechert, Sebastian; Daebel, Venita; Lange, Adam; Meyer, Franc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3903 - 3914
• a: 10.0887 ± 0.0006 Å
• b: 30.313 ± 0.0016 Å
• c: 13.8048 ± 0.0008 Å
• α: 90°
• β: 90.161 ± 0.005°
• γ: 90°
• Cell volume: 4221.8 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No