Information card for entry 1507407

Structure parameters

• Formula: C54 H76 I4 N4 Pd2
• Calculated formula: C54 H76 I4 N4 Pd2
• SMILES: I[Pd]1([I][Pd](I)([I]1)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Borylation of aryldiazonium ions with N-heterocyclic carbene-palladium catalysts formed without added base.
• Authors of publication: Ma, Yudao; Song, Chun; Jiang, Wei; Xue, Guoping; Cannon, John F.; Wang, Xiaomei; Andrus, Merritt B.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 24
• Pages of publication: 4635 - 4638
• a: 10.3173 ± 0.0016 Å
• b: 12.3785 ± 0.0017 Å
• c: 12.5477 ± 0.0017 Å
• α: 110.479 ± 0.01°
• β: 93.757 ± 0.011°
• γ: 104.671 ± 0.012°
• Cell volume: 1431.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No