Information card for entry 4077225

Structure parameters

• Formula: C32 H52 B20 P2 Pd Sn2
• Calculated formula: C32 H52 B20 P2 Pd Sn2
• SMILES: [Sn]1([Pd]([Sn]2(C)C)([P]([C]3456[BH]789[BH]%10%11%12[BH]%13%14%15[BH]%16%17%10[BH]%10%18%19[BH]37([BH]8%11%16%10)[BH]35%18[BH]4%13([BH]%14%17%193)[C]269%12%15)(c2ccccc2)c2ccccc2)[P]([C]2345[BH]678[BH]9%103[BH]3%114[BH]4%12%13[BH]%14%15%16[BH]%177([BH]726[BH]%12%16%17[C]15%11%137)[BH]89%14[BH]%1034%15)(c1ccccc1)c1ccccc1)(C)C
• Title of publication: Synthesis and Reactivity of Organotin Compounds Containing the C,P-Chelatingo-Carboranylphosphino Ligand [o-C2B10H10PPh2-C,P](CabC,P). X-ray Structures of (CabC,CH2P)SnMe2Br, [(CabC,P)SnMe2]2Pd, and [(CabC,P)SnMe2]Pd(PEt3)Cl
• Authors of publication: Lee, Taegweon; Lee, Soon W.; Jang, Ho G.; Kang, Sang Ook; Ko, Jaejung
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 4
• Pages of publication: 741
• a: 12.1059 ± 0.001 Å
• b: 16.056 ± 0.002 Å
• c: 23.321 ± 0.002 Å
• α: 90°
• β: 95.077 ± 0.007°
• γ: 90°
• Cell volume: 4515.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No