Information card for entry 7007680

Structure parameters

• Formula: C37 H50 Br Cl3 Fe N P Pd
• Calculated formula: C37 H50 Br Cl3 Fe N P Pd
• SMILES: [Pd]1([c]23[Fe]456789%10([cH]%11[cH]4[cH]5[cH]6[cH]7%11)[cH]2[cH]8[cH]9[c]3%10C(=[N]1c1ccc(Br)cc1)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Cl.ClCCl
• Title of publication: Tricyclohexylphosphine-cyclopalladated ferrocenylimine complexes: synthesis, crystal structures and application in Suzuki and Heck reactions.
• Authors of publication: Xu, Chen; Gong, Jun-Fang; Yue, Su-Fang; Zhu, Yu; Wu, Yang-Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 39
• Pages of publication: 4730 - 4739
• a: 10.118 ± 0.002 Å
• b: 11.126 ± 0.002 Å
• c: 18.05 ± 0.004 Å
• α: 102.98 ± 0.03°
• β: 93.17 ± 0.03°
• γ: 105.25 ± 0.03°
• Cell volume: 1896.1 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1192
• 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: No