Information card for entry 7028053

Structure parameters

• Common name: syn-(-)-(Sp,R,R,Sp)-5
• Formula: C36 H46 Br2 Fe2 N4 O2 Pd2
• Calculated formula: C36 H46 Br2 Fe2 N4 O2 Pd2
• SMILES: [Pd]12([N](N3[C@H](CCC3)COC)=C([c]34[Fe]56789%10%11([c]23[cH]7[cH]6[cH]45)[cH]2[cH]%11[cH]%10[cH]9[cH]82)C)[Br][Pd]2([Br]1)[N](N1[C@H](CCC1)COC)=C([c]13[Fe]456789%10([c]21[cH]6[cH]5[cH]34)[cH]1[cH]%10[cH]9[cH]8[cH]71)C
• Title of publication: Enantiopure planar chiral monomers and di-μ-bromo-bridged dimers of ferrocenylhydrazones from asymmetric cyclopalladation
• Authors of publication: Zhao, Gang; Wang, Qi-Guang; Mak, Thomas C. W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 22
• Pages of publication: 3785
• a: 12.872 ± 0.001 Å
• b: 11.296 ± 0.001 Å
• c: 13.337 ± 0.001 Å
• α: 90°
• β: 96.37 ± 0.01°
• γ: 90°
• Cell volume: 1927.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections: 0.1586
• Weighted residual factors for significantly intense reflections: 0.1555
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for significantly intense reflections: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No