Crystallography Open Database

Information card for entry 4321054

Preview

Coordinates	4321054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Cl4 N O P S U
Calculated formula	C36 H30 Cl4 N O P S U
SMILES	[U](Cl)(Cl)(Cl)(Cl)(N=S(c1ccccc1)c1ccccc1)=O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Uranium(VI) Sulfilimine Complexes: A New Class of Nitrogen Analogues of the Uranyl Ion
Authors of publication	Vaughan Clifford Williams; Matthias Müller; Michael A. Leech; Robert G. Denning; Malcolm L. H. Green
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2538 - 2541
a	14.414 Å
b	15.912 Å
c	15.948 Å
α	90°
β	99.466°
γ	90°
Cell volume	3607.96 Å³
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0329
Goodness-of-fit parameter for significantly intense reflections	0.9197
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	4321054.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4321054.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321054.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321054.cif
18391	2011-04-29	../uploads/cif-deposit/cod/cif Adding structures of 4321054 via cif-deposit CGI script.	4321054.cif