Crystallography Open Database

Information card for entry 1568652

Preview

Coordinates	1568652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H59 I N2 O P3 Rh
Calculated formula	C53 H59 I N2 O P3 Rh
Title of publication	Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.
Authors of publication	Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	14
Pages of publication	3816 - 3825
a	43.4288 ± 0.0005 Å
b	43.4288 ± 0.0005 Å
c	13.10301 ± 0.00016 Å
α	90°
β	90°
γ	120°
Cell volume	21402.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283173 (current)	2023-05-05	cif/ Updating files of 1568644, 1568645, 1568646, 1568647, 1568648, 1568649, 1568650, 1568651, 1568652, 1568653 Original log message: Adding full bibliography for 1568644--1568653.cif.	1568652.cif
281849	2023-03-14	cif/ Adding structures of 1568644, 1568645, 1568646, 1568647, 1568648, 1568649, 1568650, 1568651, 1568652, 1568653 via cif-deposit CGI script.	1568652.cif