Crystallography Open Database

Information card for entry 4130610

Preview

Coordinates	4130610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H42 N O P2 Rh
Calculated formula	C24 H42 N O 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	11.417 ± 0.002 Å
b	29.009 ± 0.005 Å
c	15.317 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5072.9 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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.	4130610.cif