Information card for entry 2218087

Structure parameters

• Chemical name: Di-μ-chlorido-bis({9-[(2,6-diisopropylphenyl)iminomethyl]anthracen-1- yl}palladium(II))
• Formula: C54 H52 Cl2 N2 Pd2
• Calculated formula: C54 H52 Cl2 N2 Pd2
• SMILES: CC(C)c1cccc(C(C)C)c1[N]1=Cc2c3ccccc3cc3cccc(c23)[Pd]21[Cl][Pd]1([N](c3c(cccc3C(C)C)C(C)C)=Cc3c4c(cccc4)cc4cccc1c34)[Cl]2
• Title of publication: Di-μ-chlorido-bis({9-[(2,6-diisopropylphenyl)iminomethyl]anthracen-1-yl}palladium(II))
• Authors of publication: Zhou, Jin; Wang, Qibao; Sun, Hongjian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m688
• a: 12.3002 ± 0.0004 Å
• b: 12.9836 ± 0.0004 Å
• c: 15.4558 ± 0.0005 Å
• α: 90°
• β: 110.364 ± 0.002°
• γ: 90°
• Cell volume: 2314.04 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1542
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes