Information card for entry 7111121

Structure parameters

• Formula: C30 H25 Cl Fe O4 P2 Pd
• Calculated formula: C30 H25 Cl Fe O4 P2 Pd
• SMILES: [Pd]123([Fe]([P](c4ccccc4)(c4ccccc4)C[P]1(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C2=O)C3=O)(Cl)C
• Title of publication: Heterobimetallic intermediates in alkene insertion reactions into a Pd‒acetyl bond
• Authors of publication: Braunstein, Pierre; Durand, Jérôme; Knorr, Michael; Strohmann, Carsten
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 211
• a: 10.931 ± 0.002 Å
• b: 12.0774 ± 0.0015 Å
• c: 22.688 ± 0.003 Å
• α: 90°
• β: 98.48 ± 0.02°
• γ: 90°
• Cell volume: 2962.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections: 0.176
• Weighted residual factors for significantly intense reflections: 0.1677
• Goodness-of-fit parameter for all reflections: 1.11
• Goodness-of-fit parameter for significantly intense reflections: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No