Crystallography Open Database

Information card for entry 1557604

Preview

Coordinates	1557604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H44 Cl2 N2 O2 P2 U
Calculated formula	C20 H44 Cl2 N2 O2 P2 U
SMILES	[U]12(N(P(C(C)C)C(C)C)CC[O]2CCN1P(C(C)C)C(C)C)(Cl)(Cl)[O]1CCCC1
Title of publication	Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands
Authors of publication	Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	29
Pages of publication	7585 - 7592
a	12.7105 ± 0.001 Å
b	28.115 ± 0.002 Å
c	8.1727 ± 0.0007 Å
α	90°
β	105.391 ± 0.002°
γ	90°
Cell volume	2815.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0541
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
257277 (current)	2020-10-06	cif/ Updating files of 1557604, 1557605, 1557606, 1557607, 1557608, 1557609, 1557610 Original log message: Adding full bibliography for 1557604--1557610.cif.	1557604.cif
254931	2020-08-06	cif/ Updating files of 1557604, 1557605, 1557606, 1557607, 1557608, 1557609, 1557610 Original log message: Adding full bibliography for 1557604--1557610.cif.	1557604.cif
249381	2020-03-14	cif/ Adding structures of 1557604, 1557605, 1557606, 1557607, 1557608, 1557609, 1557610 via cif-deposit CGI script.	1557604.cif