Information card for entry 4060224

Structure parameters

• Formula: C32 H52 B20 P2 Pd Si2
• Calculated formula: C32 H52 B20 P2 Pd Si2
• SMILES: [Pd]12([P]([C]3456[C]789([Si]1(C)C)[BH]1%103[BH]3%117[BH]7%128[BH]849[BH]49%12[BH]%12%117[BH]7%103[BH]351[BH]684[BH]9%1273)(c1ccccc1)c1ccccc1)[P]([C]1345[C]678([Si]2(C)C)[BH]291[BH]1%106[BH]6%117[BH]738[BH]38%11[BH]%11%106[BH]691[BH]142[BH]573[BH]8%1161)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structure, and DFT Calculation of (Phosphino-o-carboranyl)silyl Group 10 Metal Complexes: Formation of Stable trans-Bis(P,Si-chelate)metal Complexes
• Authors of publication: Young-Joo Lee; Jong-Dae Lee; Sung-Joon Kim; Samrok Keum; Jaejung Ko; Il-Hwan Suh; Minserk Cheong; Sang Ook Kang
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Pages of publication: 203 - 214
• a: 11.8802 ± 0.0012 Å
• b: 15.6451 ± 0.0011 Å
• c: 23.4052 ± 0.0017 Å
• α: 90°
• β: 93.557 ± 0.007°
• γ: 90°
• Cell volume: 4341.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1218
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No