Information card for entry 7002409

Structure parameters

• Formula: C46 H28 Cl4 F6 Fe P2 Pd
• Calculated formula: C46 H28 Cl4 F6 Fe P2 Pd
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([P]1(c1ccccc1)c1ccccc1)[cH]7[cH]8[cH]9[cH]%102)(c1c(c(c(c(c1F)Cl)F)Cl)F)c1c(c(c(c(c1F)Cl)F)Cl)F
• Title of publication: Enthalpy of ligand substitution in cis organopalladium complexes with monodentate ligands
• Authors of publication: Salas, Gorka; Casares, Juan A.; Espinet, Pablo
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 8413 - 8420
• a: 16.707 ± 0.004 Å
• b: 14.682 ± 0.004 Å
• c: 18.509 ± 0.005 Å
• α: 90°
• β: 113.402 ± 0.004°
• γ: 90°
• Cell volume: 4166.6 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0498
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No