Information card for entry 7114022

Structure parameters

• Formula: C77 H79 B9 Cl0.25 I1.75 P2 Pd
• Calculated formula: C77 H79 B9 Cl0.25 I1.75 P2 Pd
• Title of publication: Monocarbaborane anion chemistry. An interesting encapsulation of the Pd2I2{P(C6H4-4-Me)3}4]2+ cation by a pair of [PhCB9H4I(C6H4Me)4]??? anions
• Authors of publication: Franken, Andreas; Kilner, Colin A.; Thornton-Pett, Mark; Kennedy, John D.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2048
• a: 14.2337 ± 0.0001 Å
• b: 19.1946 ± 0.0002 Å
• c: 28.6687 ± 0.0003 Å
• α: 90°
• β: 91.297 ± 0.001°
• γ: 90°
• Cell volume: 7830.57 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No