Information card for entry 4077827

Structure parameters

• Formula: C52 H55 B9 Cl P3 Pd
• Calculated formula: C52 H55 B9 Cl P3 Pd
• SMILES: [Pd]1(Cl)([P]([C]234[BH]567[BH]89%10[BH]%1125[BH]258[BH]8%129[BH]96%10[BH]6%12([BH]58([C]3%112C)[H]6)[B]479[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C
• Title of publication: Formation of B−P Bonds through the Reaction ofnido-Monophosphinocarboranes with Palladium(II) Complexes. The First Example of a Chelating R2P−C−B−PR2Diphosphine
• Authors of publication: Viñas, C.; Núñez, R.; Teixidor, F.; Sillanpää, R.; Kivekäs, R.
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 4712
• a: 19.007 ± 0.006 Å
• b: 10.863 ± 0.005 Å
• c: 25.454 ± 0.007 Å
• α: 90°
• β: 96.15 ± 0.02°
• γ: 90°
• Cell volume: 5225 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No