Information card for entry 4073950

Structure parameters

• Formula: C38 H48 Br4 N6 Pd2
• Calculated formula: C38 H48 Br4 N6 Pd2
• SMILES: C1(N(c2c(cccc2)N1C(C)C)C(C)C)[Pd]([n]1ccc(CCc2cc[n](cc2)[Pd](=C2N(c3ccccc3N2C(C)C)C(C)C)(Br)Br)cc1)(Br)Br
• Title of publication: Syntheses and Characterizations of Pd(II) Complexes Incorporating aN-Heterocyclic Carbene and AromaticN-Heterocycles
• Authors of publication: Han, Yuan; Huynh, Han Vinh; Tan, Geok Kheng
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6447
• a: 14.9211 ± 0.0008 Å
• b: 9.9826 ± 0.0006 Å
• c: 16.1261 ± 0.0009 Å
• α: 90°
• β: 116.725 ± 0.001°
• γ: 90°
• Cell volume: 2145.4 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No