Crystallography Open Database

Information card for entry 4342521

Preview

Coordinates	4342521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H45 N4 Ni O10.5 U
Calculated formula	C44 H45 N4 Ni O10.5 U
Title of publication	Uranyl and uranyl-3d block cation complexes with 1,3-adamantanedicarboxylate: crystal structures, luminescence, and magnetic properties.
Authors of publication	Thuéry, Pierre; Rivière, Eric; Harrowfield, Jack
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	6
Pages of publication	2838 - 2850
a	16.4567 ± 0.0009 Å
b	13.786 ± 0.0005 Å
c	19.9056 ± 0.0011 Å
α	90°
β	109.587 ± 0.003°
γ	90°
Cell volume	4254.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.056
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4342521.cif
134775	2015-04-04	cif/ Updating files of 4342516, 4342517, 4342518, 4342519, 4342520, 4342521, 4342522, 4342523, 4342524 Original log message: Adding full bibliography for 4342516--4342524.cif.	4342521.cif
132435	2015-02-26	cif/ Adding structures of 4342516, 4342517, 4342518, 4342519, 4342520, 4342521, 4342522, 4342523, 4342524 via cif-deposit CGI script.	4342521.cif