Information card for entry 2225041

Structure parameters

• Common name: cgj
• Chemical name: (Bis{2-[3-(2,4,6-trimethylbenzyl)imidazolin-2-yliden-1-yl-κ<i>C</i>^2^]- 4-methylphenyl}amido-κ<i>N</i>)chloridopalladium(II)
• Formula: C40 H42 Cl N5 Pd
• Calculated formula: C40 H42 Cl N5 Pd
• SMILES: [Pd]12(=C3N(Cc4c(cc(cc4C)C)C)C=CN3c3cc(ccc3N1c1c(N3C=2N(C=C3)Cc2c(cc(cc2C)C)C)cc(cc1)C)C)Cl
• Title of publication: (Bis{2-[3-(2,4,6-trimethylbenzyl)imidazolin-2-yliden-1-yl-κ<i>C</i>^2^]-4-methylphenyl}amido-κ<i>N</i>)chloridopalladium(II)
• Authors of publication: Cheng, Guan-Jun; Wei, Wei; Zhou, Chuang; Luo, Mei-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m198
• a: 14.077 ± 0.004 Å
• b: 28.784 ± 0.01 Å
• c: 10.269 ± 0.003 Å
• α: 90°
• β: 101.87 ± 0.03°
• γ: 90°
• Cell volume: 4072 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.1424
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes