Crystallography Open Database

Information card for entry 1569299

Preview

Coordinates	1569299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H54 Cl N2 Np O
Calculated formula	C46 H54 Cl N2 Np O
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	10.8086 ± 0.0018 Å
b	13.8161 ± 0.0017 Å
c	17.097 ± 0.003 Å
α	78.952 ± 0.012°
β	73.607 ± 0.015°
γ	69.594 ± 0.013°
Cell volume	2283.3 ± 0.7 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1282
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1782
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1569299.cif
284564	2023-06-29	cif/ Adding structures of 1569298, 1569299, 1569300, 1569301, 1569302, 1569303, 1569304, 1569305, 1569306 via cif-deposit CGI script.	1569299.cif