Crystallography Open Database

Information card for entry 7118618

Preview

Coordinates	7118618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H90 N7 O2 Rh
Calculated formula	C72 H90 N7 O2 Rh
Title of publication	A rhodium(i)-oxygen adduct as a selective catalyst for one-pot sequential alkyne dimerization-hydrothiolation tandem reactions.
Authors of publication	Kleinhans, George; Guisado-Barrios, Gregorio; Liles, David C.; Bertrand, Guy; Bezuidenhout, Daniela I.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	17
Pages of publication	3504 - 3507
a	10.8323 ± 0.0005 Å
b	15.4988 ± 0.0008 Å
c	24.841 ± 0.0013 Å
α	103.448 ± 0.0014°
β	97.059 ± 0.0013°
γ	107.037 ± 0.0013°
Cell volume	3795.4 ± 0.3 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1086
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.1896
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
181577 (current)	2016-04-05	cif/ Updating files of 7118618, 7118619 Original log message: Adding full bibliography for 7118618--7118619.cif.	7118618.cif
175117	2016-01-27	cif/ Adding structures of 7118618, 7118619 via cif-deposit CGI script.	7118618.cif