Crystallography Open Database

Information card for entry 4109108

Preview

Coordinates	4109108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H59 B O2 P3 Rh
Calculated formula	C27.5 H59 B O2 P3 Rh
Title of publication	Directly Observed Transmetalation from Boron to Rhodium. β-Aryl Elimination from Rh(I) Arylboronates and Diarylborinates
Authors of publication	Pinjing Zhao; Christopher D. Incarvito; John F. Hartwig
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	1876 - 1877
a	10.693 ± 0.002 Å
b	17.341 ± 0.004 Å
c	18.915 ± 0.004 Å
α	90°
β	106.35 ± 0.03°
γ	90°
Cell volume	3365.5 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109108.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109108.cif
57860	2012-05-22	cif/ Adding structures of 4109108 via cif-deposit CGI script.	4109108.cif