Crystallography Open Database

Information card for entry 4342519

Preview

Coordinates	4342519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H23 N O7 U
Calculated formula	C17 H23 N O7 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	36.6031 ± 0.0016 Å
b	10.1698 ± 0.0004 Å
c	21.175 ± 0.0008 Å
α	90°
β	110.279 ± 0.004°
γ	90°
Cell volume	7393.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
179528 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/25.	4342519.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.	4342519.cif
132435	2015-02-26	cif/ Adding structures of 4342516, 4342517, 4342518, 4342519, 4342520, 4342521, 4342522, 4342523, 4342524 via cif-deposit CGI script.	4342519.cif