Crystallography Open Database

Information card for 7107142

7107141 << 7107142 >> 7107143


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Structure parameters

Formula - C37 H55 N2 O2 P2 Rh -
Calculated formula - C37 H55 N2 O2 P2 Rh -
Title of publication C-H and C-O oxidative addition in reactions of aryl carboxylates with a PNP pincer-ligated Rh(I) fragment
Authors of publication Yanjun Zhu; Dan A. Smith; David E. Herbert; Sylvain Gatard; Oleg V. Ozerov
Journal of publication Chem.Commun.
Year of publication 2012
Journal volume 48
a 10.718 ± 0.007 Å
b 18.395 ± 0.012 Å
c 18.871 ± 0.012 Å
α 90°
β 90.154 ± 0.008°
γ 90°
Cell volume 3721 ± 4 Å3
Cell temperature 296 ± 2 K
Ambient diffraction temperature 296 ± 2 K
Number of distinct elements 6
Hermann-Mauguin symmetry space group P 1 21/n 1
Hall symmetry space group -P 2yn
Residual factor for all reflections 0.0642
Residual factor for observed reflections 0.0398
Weighted residual factors for the observed reflections 0.0956
Weighted residual factors for all reflections included in the refinement 0.1054
Goodness-of-fit parameter for observed reflections 1.079
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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