Information card for entry 7028055

Structure parameters

• Common name: (-)-(Sp,R)-4
• Formula: C17 H21 Br Fe N2 O Pd
• Calculated formula: C17 H21 Br Fe N2 O Pd
• SMILES: [Pd]12([c]34[Fe]56789%10%11([c]3([cH]5[cH]6[cH]47)C=[N]2N2[C@H](CCC2)C[O]1C)[cH]1[cH]8[cH]9[cH]%10[cH]%111)Br
• 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: 8.294 ± 0.001 Å
• b: 13.852 ± 0.001 Å
• c: 15.567 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1788.5 ± 0.3 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: 0.0584
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections: 0.1162
• Weighted residual factors for significantly intense reflections: 0.1117
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No