Crystallography Open Database

Information card for entry 1566341

Preview

Coordinates	1566341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 Cl2 F6 N3 P Rh
Calculated formula	C22 H23 Cl2 F6 N3 P Rh
Title of publication	Polymerization of phenylacetylene catalyzed by rhodium(i) complexes with N-functionalized N-heterocyclic carbene ligands
Authors of publication	Angoy, Marta; Jiménez, M. Victoria; Lahoz, Fernando J.; Vispe, Eugenio; Pérez-Torrente, Jesús J.
Journal of publication	Polymer Chemistry
Year of publication	2022
Journal volume	13
Journal issue	10
Pages of publication	1411 - 1421
a	12.804 ± 0.007 Å
b	13.813 ± 0.008 Å
c	13.807 ± 0.008 Å
α	90°
β	95.465 ± 0.008°
γ	90°
Cell volume	2431 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.036
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
275067 (current)	2022-05-05	cif/ Updating files of 1566341 Original log message: Adding full bibliography for 1566341.cif.	1566341.cif
272913	2022-02-11	cif/ Adding structures of 1566341 via cif-deposit CGI script.	1566341.cif