Information card for entry 7011593

Structure parameters

• Formula: C53 H44 Fe Mn O5 P3 Pd
• Calculated formula: C53 H44 Fe Mn O5 P3 Pd
• SMILES: [Pd]12([Mn]([P]1(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])[P]([c]13[cH]4[Fe]56789%101([cH]4[cH]5[cH]36)[c]1([cH]7[cH]8[cH]9[cH]%101)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C
• Title of publication: Cleavage of homometallic and formation of heterometallic M‒M bonds. Serendipitous syntheses of bimetallic MnPd(µ-PPh2)(CO)4(η2-P‒P) (P‒P = dppm, dppe, dppf) and polymetallic Mn2Pd2Ag(µ-Cl)(µ-PPh2)2(µ-dppm)(CO)8
• Authors of publication: Liu, Ye; Lee, Kim Hun; Vittal, Jagadese J.; Hor, Tzi Sum Andy
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2747
• a: 13.45 ± 0.0006 Å
• b: 10.7239 ± 0.0005 Å
• c: 33.3018 ± 0.0015 Å
• α: 90°
• β: 92.595 ± 0.001°
• γ: 90°
• Cell volume: 4798.4 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0636
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No