Information card for entry 4074770

Structure parameters

• Formula: C18 H28 Cl2 Fe P2 Pd
• Calculated formula: C18 H28 Cl2 Fe P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P]([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([P]1(CC)CC)[cH]7[cH]8[cH]9[cH]%102)(CC)CC
• Title of publication: Palladium Complexes with Metallocene-Bridged Bidentate Diphosphine Ligands: Synthesis, Structure, and Catalytic Activity in Amination and Cross-Coupling Reactions
• Authors of publication: Gusev, Oleg V.; Peganova, Tat'yana A.; Kalsin, Alexander M.; Vologdin, Nikolai V.; Petrovskii, Pavel V.; Lyssenko, Konstantin A.; Tsvetkov, Aleksey V.; Beletskaya, Irina P.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 2750
• a: 10.463 ± 0.0006 Å
• b: 16.7987 ± 0.0009 Å
• c: 11.5739 ± 0.0007 Å
• α: 90°
• β: 94.684 ± 0.005°
• γ: 90°
• Cell volume: 2027.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No