Information card for entry 7011592

Structure parameters

• Formula: C60 H48 Ag Cl Mn2 O9 P4 Pd2
• Calculated formula: C60 H48 Ag Cl Mn2 O9 P4 Pd2
• SMILES: [Ag]12345[Pd]67([Cl][Pd]81([Mn]3([P]8(c1ccccc1)c1ccccc1)(C5=O)(C#[O])(C#[O])C#[O])[P](C[P]6(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Mn]2([P]7(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C4=O.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: 11.313 ± 0.0004 Å
• b: 26.5117 ± 0.001 Å
• c: 19.9718 ± 0.0007 Å
• α: 90°
• β: 91.478 ± 0.001°
• γ: 90°
• Cell volume: 5988.1 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• 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: 0.0846
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No