Information card for entry 4075290

Structure parameters

• Formula: C44 H46 Fe I N2 P Pd
• Calculated formula: C44 H46 Fe I N2 P Pd
• SMILES: [Pd]1([c]23[Fe]456789%10([cH]2[cH]4[cH]5[c]36C2=[N]1[C@H]([C@@H](N2C)C)c1ccccc1)[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)(I)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Diastereoselectiveortho-Lithiation/Cyclopalladation of Enantiopure [2-Imidazolyl]-1‘,2‘,3‘,4‘,5‘-pentamethylferrocenes and -1‘,2‘,3‘,4‘,5‘-pentaphenylferrocenes
• Authors of publication: Peters, René; Xin, Zhuo-qun; Fischer, Daniel F.; Schweizer, W. Bernd
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 2917
• a: 8.8571 ± 0.0002 Å
• b: 20.297 ± 0.0004 Å
• c: 21.4132 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3849.51 ± 0.14 ų
• Cell temperature: 153 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: 0.0605
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.285
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No