Crystallography Open Database

Information card for entry 4101774

Preview

Coordinates	4101774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H99 K N3 O10 U
Calculated formula	C65 H99 K N3 O10 U
Title of publication	Synthesis, Structure, and Bonding of Stable Complexes of Pentavalent Uranyl
Authors of publication	Grégory Nocton; Pawel Horeglad; Valentina Vetere; Jacques Pécaut; Lionel Dubois; Pascale Maldivi; Norman M. Edelstein; Marinella Mazzanti
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	495 - 508
a	31.4372 ± 0.0006 Å
b	20.4126 ± 0.0004 Å
c	20.8384 ± 0.0003 Å
α	90°
β	96.0642 ± 0.0019°
γ	90°
Cell volume	13297.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0585
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
178763 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/17.	4101774.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101774.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101774.cif
24592	2011-09-06	../uploads/cif-deposit/cod/cif Adding structures of 4101774 via cif-deposit CGI script.	4101774.cif