Information card for entry 2241826

Structure parameters

• Chemical name: (+)-<i>trans</i>-Chlorido{2-[(<i>R</i>~p~)-2-(methylsulfanyl)ferrocenyl]-2,5,6,7-tetrahydropyrrolo[1,2-<i>c</i>]imidazol-3-ylidene}bis(triphenylphosphane-κ<i>P</i>)palladium(II) hexafluoridophosphate dichloroform disolvate
• Formula: C55 H50 Cl7 F6 Fe N2 P3 Pd S
• Calculated formula: C55 H50 Cl7 F6 Fe N2 P3 Pd S
• Title of publication: (+)-<i>trans</i>-Chlorido{2-[(<i>R</i>~p~)-2-(methylsulfanyl)ferrocenyl]-2,5,6,7-tetrahydropyrrolo[1,2-<i>c</i>]imidazol-3-ylidene}bis(triphenylphosphane-κ<i>P</i>)palladium(II) hexafluoridophosphate dichloroform disolvate
• Authors of publication: Wilson-Konderka, Cody; Lough, Alan J.; Metallinos, Costa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 9
• Pages of publication: 1330 - 1334
• a: 11.2517 ± 0.0005 Å
• b: 16.424 ± 0.001 Å
• c: 31.1181 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5750.6 ± 0.5 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes