Crystallography Open Database

Information card for entry 4309322

Preview

Coordinates	4309322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H46 I4 N2 O2 P2 U
Calculated formula	C52 H46 I4 N2 O2 P2 U
SMILES	N#CC.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[U](I)(I)(=O)(=O)(I)I.N#CC.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, Structural and Computational Investigations of UO2I42-: A Structurally Characterized U(VI)-I Anion
Authors of publication	Margaret-Jane Crawford; Peter Mayer
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5547 - 5549
a	25.4148 ± 0.0005 Å
b	7.956 ± 0.0002 Å
c	28.5906 ± 0.0006 Å
α	90°
β	114.266 ± 0.0011°
γ	90°
Cell volume	5270.3 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
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	0.0618
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
179131 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/93.	4309322.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309322.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309322.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309322.cif