Crystallography Open Database

Information card for entry 4130609

Preview

Coordinates	4130609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 N O2 P2 Rh
Calculated formula	C24 H44 N O2 P2 Rh
Title of publication	Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.
Authors of publication	Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	31
Pages of publication	9941 - 9950
a	10.3758 ± 0.0003 Å
b	13.2372 ± 0.0004 Å
c	19.6596 ± 0.0005 Å
α	90°
β	101.896 ± 0.003°
γ	90°
Cell volume	2642.19 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0361
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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
241010 (current)	2019-11-25	cif/ Adding structures of 4130609, 4130610, 4130611, 4130612 via cif-deposit CGI script.	4130609.cif