Information card for entry 7111119

Structure parameters

• Formula: C38.5 H33.5 Cl2.5 Fe N2 O4 P2 Pd
• Calculated formula: C38.5 H33 Cl2.5 Fe N2 O4 P2 Pd
• 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: 39.92 ± 0.008 Å
• b: 11.851 ± 0.002 Å
• c: 16.94 ± 0.003 Å
• α: 90°
• β: 105.6 ± 0.03°
• γ: 90°
• Cell volume: 7719 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections: 0.1372
• Weighted residual factors for significantly intense reflections: 0.1241
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.384
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No