Crystallography Open Database

Information card for entry 4510580

Preview

Coordinates	4510580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H42 N6 O32 U3
Calculated formula	C44 H42 N6 O32 U3
Title of publication	A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species
Authors of publication	Cantos, Paula M.; Cahill, Christopher L.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	6
Pages of publication	3044
a	9.5699 ± 0.0003 Å
b	11.0566 ± 0.0004 Å
c	14.7236 ± 0.0005 Å
α	94.826 ± 0.001°
β	95.469 ± 0.001°
γ	112.878 ± 0.001°
Cell volume	1416.3 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179652 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05.	4510580.cif
119076	2014-07-05	cif/ Updating files of 4510579, 4510580, 4510581, 4510582 Original log message: Adding full bibliography for 4510579--4510582.cif.	4510580.cif
112626	2014-05-03	cif/ Adding structures of 4510579, 4510580, 4510581, 4510582 via cif-deposit CGI script.	4510580.cif