Crystallography Open Database

Information card for entry 1569949

Preview

Coordinates	1569949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H186 Ce K N16 O13 P4
Calculated formula	C84 H186 Ce K N16 O13 P4
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	20.5497 ± 0.0014 Å
b	18.859 ± 0.0012 Å
c	28.366 ± 0.002 Å
α	90°
β	107.014 ± 0.002°
γ	90°
Cell volume	10512 ± 1.2 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	0.1389
Residual factor for significantly intense reflections	0.1296
Weighted residual factors for significantly intense reflections	0.2645
Weighted residual factors for all reflections included in the refinement	0.2699
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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.	1569949.cif
286541	2023-09-27	cif/ Adding structures of 1569945, 1569946, 1569947, 1569948, 1569949 via cif-deposit CGI script.	1569949.cif