Information card for entry 7108446

Structure parameters

• Formula: C44 H124 B50 Cl34 P10 Pd8
• Calculated formula: C35 H106 B50 Cl16 P10 Pd8
• SMILES: [Pd]123[Cl][Pd]4([Cl]1)[P]1([Pd]5([Cl][Pd]6([Cl]5)[P]5([Pd]7([Cl][Pd]8([Cl]7)[P]2([C]279%10[C]%11%12%13([P]38C(C)(C)C)[BH]387[BH]7%142[BH]2%153[BH]3%167[BH]79%14[BH]9%14%16[BH]%16%153[BH]%1182[BH]%13%14%16[BH]%10%1279)C(C)(C)C)[P](Cl)([C]2378[C]9%10%115[BH]5%12%13[BH]%14%159[BH]9%165[BH]5%17%12[BH]2%10%13[BH]27%17[BH]7%165[BH]5%159[BH]3%11%14[BH]8275)C(C)(C)C)[Pd]2(Cl)[P]6(Cl)[C]3567[C]89%10([P]2(Cl)C(C)(C)C)[BH]2%116[BH]6%123[BH]3%135[BH]5%146[BH]62%12[BH]2%12%14[BH]%14%135[BH]783[BH]%10%12%14[BH]9%1162)[P]2([Pd]1(Cl)[P](Cl)([C]1356[C]7892[BH]2%10%11[BH]%12%137[BH]7%142[BH]2%15%10[BH]18%11[BH]15%15[BH]5%142[BH]2%137[BH]39%12[BH]6152)C(C)(C)C)Cl)[C]1235[C]678([P]4(Cl)C(C)(C)C)[BH]492[BH]2%101[BH]1%114[BH]4%122[BH]23%10[BH]3%10%12[BH]%12%114[BH]691[BH]8%10%12[BH]5723.ClCCl
• Title of publication: Multinuclear palladium(II) complexes from P-C and P-Cl bond cleavage in (RP,RP/SP,SP)-[PdCl2{1,2-(PtBuCl)2C2B10H10}]
• Authors of publication: Ilham Maulana; Peter Lonnecke; Evamarie Hey-Hawkins
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10231
• a: 15.7564 ± 0.001 Å
• b: 18.3526 ± 0.0013 Å
• c: 20.8596 ± 0.0014 Å
• α: 88.724 ± 0.001°
• β: 78.974 ± 0.002°
• γ: 86.059 ± 0.001°
• Cell volume: 5906.4 ± 0.7 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1391
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No