Crystallography Open Database

Information card for entry 4501379

Preview

Coordinates	4501379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H46 N2 O13 U2
Calculated formula	C32 H46 N2 O13 U2
Title of publication	Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation
Authors of publication	Kerr, Andrew T.; Cahill, Christopher L.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5634
a	20.589 ± 0.0015 Å
b	20.5391 ± 0.0015 Å
c	10.4699 ± 0.0008 Å
α	90°
β	118.478 ± 0.001°
γ	90°
Cell volume	3891.8 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179544 (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 4/50/13.	4501379.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501379.cif
34883	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501379, 4501380, 4501381, 4501382, 4501383, 4501384, 4501385 via cif-deposit CGI script.	4501379.cif