Crystallography Open Database

Information card for entry 4501380

Preview

Coordinates	4501380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H58 N2 O39 U6
Calculated formula	C27 H28 N2 O39 U6
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	12.534 ± 0.002 Å
b	16.139 ± 0.003 Å
c	25.294 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5116.6 ± 1.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4501380.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501380.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.	4501380.cif