Information card for entry 7028056

Structure parameters

• Common name: syn-(+)-(Rp,R,R,Rp)-5
• Formula: C48 H58 Br2 Fe2 N4 O2 Pd2
• Calculated formula: C48 H58 Br2 Fe2 N4 O2 Pd2
• SMILES: [Pd]12([Br][Pd]3([Br]1)[N](N1[C@H](CCC1)COC)=C([c]14[Fe]56789%10%11([c]31[cH]7[cH]6[cH]45)[cH]1[cH]%11[cH]%10[cH]9[cH]81)C)[N](N1[C@H](CCC1)COC)=C([c]13[Fe]456789%10([c]21[cH]6[cH]5[cH]34)[cH]1[cH]7[cH]8[cH]9[cH]%101)C.c1ccccc1.c1ccccc1
• 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: 10.654 ± 0.002 Å
• b: 13.156 ± 0.003 Å
• c: 34.577 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4846.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections: 0.1467
• Weighted residual factors for significantly intense reflections: 0.1387
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No