Crystallography Open Database

Information card for entry 4510191

Preview

Coordinates	4510191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 N O7 U
Calculated formula	C13 H13 N O7 U
Title of publication	Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent
Authors of publication	Thuéry, Pierre; Harrowfield, Jack
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1314
a	12.7139 ± 0.0005 Å
b	9.3505 ± 0.0002 Å
c	12.9473 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1539.19 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
179648 (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 4/51/01.	4510191.cif
106417	2014-03-15	cif/ Adding structures of 4510191, 4510192, 4510193, 4510194, 4510195, 4510196 via cif-deposit CGI script.	4510191.cif