Information card for entry 2016333

Structure parameters

• Chemical name: Dichlorido[(<i>S</i>,<i>R</i>~S~)-1-diphenylphosphino-2- (ethylsulfanylmethyl)ferrocene]palladium(II)
• Formula: C25 H25 Cl2 Fe P Pd S
• Calculated formula: C25 H25 Cl2 Fe P Pd S
• SMILES: [Pd]1(Cl)(Cl)[P]([c]23[Fe]456789%10([c]2([cH]4[cH]5[cH]36)C[S]1CC)[cH]1[cH]7[cH]8[cH]9[cH]%101)(c1ccccc1)c1ccccc1
• Title of publication: Dichlorido[(<i>S</i>,<i>R</i>~S~)-1-diphenylphosphino-2-(ethylsulfanylmethyl)ferrocene]palladium(II)
• Authors of publication: Diab, Lisa; Daran, Jean-Claude; Gouygou, Maryse; Manoury, Eric; Urrutigoïty, Martine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m586 - m588
• a: 9.7644 ± 0.0007 Å
• b: 14.8595 ± 0.0015 Å
• c: 16.9586 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2460.6 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.0253
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes