Crystallography Open Database

Information card for entry 4126141

Preview

Coordinates	4126141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H80 Cl14 F24 N8 P4 Rh2 Sb4
Calculated formula	C62 H80 Cl14 F24 N8 P4 Rh2 Sb4
Title of publication	α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.
Authors of publication	Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	13
Pages of publication	4948 - 4953
a	13.2883 ± 0.0012 Å
b	13.0485 ± 0.0016 Å
c	26.3951 ± 0.0012 Å
α	90°
β	92.308 ± 0.007°
γ	90°
Cell volume	4573 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	8
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	0.0672
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1638
Weighted residual factors for all reflections included in the refinement	0.1762
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
296166 (current)	2024-11-29	Removed the '_chemical_name_systematic' and '_chemical_name_common' data names that had the 'Title' placeholder value.	4126141.cif
197277	2017-06-04	cif/ Adding structures of 4126141 via cif-deposit CGI script.	4126141.cif