Information card for entry 4114527

Structure parameters

• Formula: C16 H32 B14 Br2 P2 Pd
• Calculated formula: C16 H32 B14 Br2 P2 Pd
• SMILES: [BH]1234[BH]567[BH]891[BH]1%102[CH]28[P]%10([CH]41[BH]135[BH]36([BH]792[H]3)[H]1)([Pd](Br)(Br)[P]12([BH]345[BH]678[BH]9%10%11[BH]%1236[CH]14[BH]1%11%12[BH]3%10([BH]79([CH]258)[H]3)[H]1)c1ccccc1)c1ccccc1
• Title of publication: Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11
• Authors of publication: Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 16058 - 16073
• a: 8.6297 ± 0.0009 Å
• b: 8.549 ± 0.001 Å
• c: 19.16 ± 0.002 Å
• α: 90°
• β: 92.1 ± 0.005°
• γ: 90°
• Cell volume: 1412.6 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 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: 0.0888
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections: 0.2309
• Weighted residual factors for significantly intense reflections: 0.2253
• Goodness-of-fit parameter for all reflections: 1.231
• Goodness-of-fit parameter for significantly intense reflections: 1.235
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No