Information card for entry 4130736

Structure parameters

• Formula: C2.61 Ir0.07 O0.61 P0.07 Zr0.1
• Calculated formula: C2.61017 Ir0.0550847 O0.610169 P0.0677966 Zr0.101695
• Title of publication: Metal-Organic Frameworks Stabilize Mono(phosphine)-Metal Complexes for Broad-Scope Catalytic Reactions.
• Authors of publication: Sawano, Takahiro; Lin, Zekai; Boures, Dean; An, Bing; Wang, Cheng; Lin, Wenbin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 31
• Pages of publication: 9783 - 9786
• a: 19.783 ± 0.007 Å
• b: 21.51 ± 0.007 Å
• c: 23.023 ± 0.008 Å
• α: 117.806 ± 0.004°
• β: 111.824 ± 0.004°
• γ: 90.022 ± 0.005°
• Cell volume: 7862 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2091
• Residual factor for significantly intense reflections: 0.1346
• Weighted residual factors for significantly intense reflections: 0.3304
• Weighted residual factors for all reflections included in the refinement: 0.3683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No