Information card for entry 4121769

Structure parameters

• Formula: C60.19 H44.78 I6 N15.59 O Pd S2 Zn3
• Calculated formula: C60.1859 H44.7804 I6 N15.5938 O0.9999 Pd0.9999 S1.9998 Zn3
• Title of publication: X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.
• Authors of publication: Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 19
• Pages of publication: 6892 - 6895
• a: 27.774 ± 0.003 Å
• b: 13.8933 ± 0.0016 Å
• c: 44.585 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17204 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1915
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No