Crystallography Open Database

Information card for entry 7224897

Preview

Coordinates	7224897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 N2 O6 U
Calculated formula	C18 H20 N2 O6 U
Title of publication	Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres
Authors of publication	Thuéry, Pierre; Harrowfield, Jack
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	21
Pages of publication	3905
a	6.8419 ± 0.0003 Å
b	14.9035 ± 0.001 Å
c	18.3664 ± 0.0012 Å
α	90°
β	97.677 ± 0.004°
γ	90°
Cell volume	1856 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0377
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
185241 (current)	2016-08-07	cif/ Updating files of 7224895, 7224896, 7224897, 7224898, 7224899, 7224900, 7224901, 7224902 Original log message: Adding full bibliography for 7224895--7224902.cif.	7224897.cif
182061	2016-04-13	cif/ Adding structures of 7224895, 7224896, 7224897, 7224898, 7224899, 7224900, 7224901, 7224902 via cif-deposit CGI script.	7224897.cif