Crystallography Open Database

Information card for entry 4503016

Preview

Coordinates	4503016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H6 N6 O42 U3
Calculated formula	C30 H6 N6 O42 U3
Title of publication	Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems
Authors of publication	Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	526
a	55.631 ± 0.002 Å
b	7.1082 ± 0.0003 Å
c	13.1074 ± 0.0005 Å
α	90°
β	95.831 ± 0.001°
γ	90°
Cell volume	5156.3 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0396
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0309
Weighted residual factors for all reflections included in the refinement	0.0324
Goodness-of-fit parameter for all reflections included in the refinement	1.31
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
179561 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/30.	4503016.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503016.cif
37825	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4503016 via cif-deposit CGI script.	4503016.cif