Information card for entry 4130735

Structure parameters

• Formula: C2.48 H1.71 Cl0.05 O0.45 P0.05 Rh0.05 Zr0.08
• Calculated formula: C2.45333 H1.70667 Cl0.0533333 O0.453333 P0.0533333 Rh0.0533333 Zr0.08
• 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: 18.126 ± 0.014 Å
• b: 20.015 ± 0.015 Å
• c: 21.79 ± 0.016 Å
• α: 109.155 ± 0.009°
• β: 103.794 ± 0.009°
• γ: 99.7 ± 0.01°
• Cell volume: 6985 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1636
• Residual factor for significantly intense reflections: 0.1189
• Weighted residual factors for significantly intense reflections: 0.3042
• Weighted residual factors for all reflections included in the refinement: 0.3358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No