Information card for entry 4072491

Structure parameters

• Chemical name: trifluoroacetate-(2-(1,10-phenanthroline)-ferrocenyl)-palladium(II)
• Formula: C24 H15 F3 Fe N2 O2 Pd
• Calculated formula: C24 H15 F3 Fe N2 O2 Pd
• SMILES: [Pd]12([n]3c4c5[n]1cccc5ccc4ccc3[c]13[Fe]456789%10([c]21[cH]6[cH]5[cH]34)[cH]1[cH]7[cH]8[cH]9[cH]%101)OC(=O)C(F)(F)F
• Title of publication: Palladium Chemistry of 2-Ferrocenyl-1,10-phenanthroline Ligand
• Authors of publication: Durand, Jérôme; Gladiali, Serafino; Erre, Giulia; Zangrando, Ennio; Milani, Barbara
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 810
• a: 11.427 ± 0.004 Å
• b: 12.338 ± 0.004 Å
• c: 15.599 ± 0.005 Å
• α: 90°
• β: 110.56 ± 0.03°
• γ: 90°
• Cell volume: 2059.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No