Information card for entry 4029703

Structure parameters

• Formula: C26 H38 Cl2 F2 I2 N6 Pd
• Calculated formula: C26 H38 Cl2 F2 I2 N6 Pd
• Title of publication: Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.
• Authors of publication: Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2013
• Journal volume: 9
• Pages of publication: 1455 - 1462
• a: 24.09 ± 0.0011 Å
• b: 11.4512 ± 0.0005 Å
• c: 20.3122 ± 0.0008 Å
• α: 90°
• β: 114.671 ± 0.001°
• γ: 90°
• Cell volume: 5091.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No