Crystallography Open Database

Information card for entry 1569306

Preview

Coordinates	1569306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H131.24 Ce2 Cl4 K2 N4 O5
Calculated formula	C100 H131.24 Ce2 Cl4 K2 N4 O5
Title of publication	Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.
Authors of publication	Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	27
Pages of publication	7438 - 7446
a	13.3524 ± 0.0004 Å
b	16.9877 ± 0.0005 Å
c	25.6828 ± 0.0008 Å
α	90°
β	90.93 ± 0.001°
γ	90°
Cell volume	5824.8 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0527
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
286035 (current)	2023-09-05	cif/ Updating files of 1569298, 1569299, 1569300, 1569301, 1569302, 1569303, 1569304, 1569305, 1569306 Original log message: Adding full bibliography for 1569298--1569306.cif.	1569306.cif
284564	2023-06-29	cif/ Adding structures of 1569298, 1569299, 1569300, 1569301, 1569302, 1569303, 1569304, 1569305, 1569306 via cif-deposit CGI script.	1569306.cif