Information card for entry 4066977

Structure parameters

• Formula: C24 H28 I2 N4 Pd
• Calculated formula: C24 H28 I2 N4 Pd
• SMILES: c1cc(ccc1)N1C(=[Pd](=C2N(C=CN2C(C)C)c2ccccc2)(I)I)N(C=C1)C(C)C
• Title of publication: Abnormal N-Heterocyclic Carbene Promoted Suzuki−Miyaura Coupling Reaction: A Comparative Study
• Authors of publication: Xu, Xiangya; Xu, Baochang; Li, Yongxin; Hong, Soon Hyeok
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6343
• a: 8.6567 ± 0.0004 Å
• b: 8.7067 ± 0.0004 Å
• c: 10.3222 ± 0.0008 Å
• α: 102.88 ± 0.003°
• β: 92.338 ± 0.003°
• γ: 118.385 ± 0.002°
• Cell volume: 657.4 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No