Crystallography Open Database

Information card for entry 4117652

Preview

Coordinates	4117652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H61 B F24 N O P2 Rh S
Calculated formula	C59 H61 B F24 N O P2 Rh S
Title of publication	Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands
Authors of publication	Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	4885 - 4897
a	20.6581 ± 0.0001 Å
b	15.8107 ± 0.0001 Å
c	21.9696 ± 0.0002 Å
α	90°
β	117.474 ± 0.0003°
γ	90°
Cell volume	6366.43 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
178947 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/76.	4117652.cif
74773	2013-03-03	cif/ Adding structures of 4117652 via cif-deposit CGI script.	4117652.cif