Crystallography Open Database

Information card for entry 4311866

Preview

Coordinates	4311866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 I2 O4 P2 U
Calculated formula	C36 H30 I2 O4 P2 U
SMILES	P(c1ccccc1)(c1ccccc1)(=[O][U](I)(I)(=O)(=O)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Synthesis and Characterization of Heavier Dioxouranium(VI) Dihalides
Authors of publication	Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer; Heinrich Nöth; Max Suter
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7120 - 7126
a	9.5643 ± 0.0001 Å
b	18.8968 ± 0.0003 Å
c	10.9042 ± 0.0002 Å
α	90°
β	115.213 ± 0.0005°
γ	90°
Cell volume	1783.01 ± 0.05 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	202 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
179157 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/18.	4311866.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311866.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311866.cif
3368	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311866 via cif-deposit CGI script.	4311866.cif