Crystallography Open Database

Information card for entry 1569948

Preview

Coordinates	1569948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H266 Ce2 Li2 N32 O P8
Calculated formula	C116 H266 Ce2 Li2 N32 O P8
Title of publication	Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce<sup>3+</sup> imidophosphorane complexes.
Authors of publication	Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	42
Pages of publication	11708 - 11717
a	28.658 ± 0.006 Å
b	22.627 ± 0.005 Å
c	25.312 ± 0.005 Å
α	90°
β	115.73 ± 0.03°
γ	90°
Cell volume	14786 ± 7 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	0.0931
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.1805
Weighted residual factors for all reflections included in the refinement	0.1847
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
287298 (current)	2023-11-06	cif/ Updating files of 1569945, 1569946, 1569947, 1569948, 1569949 Original log message: Adding full bibliography for 1569945--1569949.cif.	1569948.cif
286541	2023-09-27	cif/ Adding structures of 1569945, 1569946, 1569947, 1569948, 1569949 via cif-deposit CGI script.	1569948.cif