Information card for entry 7704538

Structure parameters

• Formula: C46 H61 N3 P2 Pd Si
• Calculated formula: C46 H61 N3 P2 Pd Si
• SMILES: CC(C)(C)[N]1=C(c2ccccc2)N(C(C)(C)C)[Si]21n1cccc1C[P](C(C)(C)C)(C(C)(C)C)[Pd]2[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Phosphane-functionalized heavier tetrylenes: synthesis of silylene- and germylene-decorated phosphanes and their reactions with Group 10 metal complexes.
• Authors of publication: Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 24
• Pages of publication: 8331 - 8339
• a: 18.1593 ± 0.0002 Å
• b: 20.9946 ± 0.0002 Å
• c: 23.5554 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8980.43 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No