Information card for entry 7027802

Structure parameters

• Formula: C30 H30 Cl Fe N O6 P2 Pd Si
• Calculated formula: C30 H30 Cl Fe N O6 P2 Pd Si
• SMILES: C([Fe]123(C#[O])[P](c4ccccc4)(N[P](c4ccccc4)([Pd]1(C2=O)([O](C)[Si]3(OC)OC)Cl)c1ccccc1)c1ccccc1)#[O]
• Title of publication: Hydrocarbyl derivatives of dppm- or dppa-bridged alkoxysilyl heterobimetallic Fe‒Pd complexes and CO insertion reactions. Crystal structures of [(OC)3{(MeO)3Si}Fe(μ-dppm)Pd(8-mq)] (dppm = Ph2PCH2PPh2), [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdCl] and [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdPh] (dppa = Ph2PNHPPh2) †
• Authors of publication: Braunstein, Pierre; Durand, Jérôme; Kickelbick, Guido; Knorr, Michael; Morise, Xavier; Pugin, Raphael; Tiripicchio, Antonio; Ugozzoli, Franco
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 4175
• a: 25.113 ± 0.002 Å
• b: 25.113 ± 0.002 Å
• c: 25.113 ± 0.003 Å
• α: 118.39 ± 0.02°
• β: 118.39 ± 0.02°
• γ: 118.39 ± 0.02°
• Cell volume: 5176 ± 18 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 9
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.1309
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections: 0.1271
• Weighted residual factors for significantly intense reflections: 0.0629
• Goodness-of-fit parameter for all reflections: 1.389
• Goodness-of-fit parameter for significantly intense reflections: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No