Crystallography Open Database

Information card for entry 4101775

Preview

Coordinates	4101775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H109 Co N7 O4 U
Calculated formula	C79 H109 Co N7 O4 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	11.85 ± 0.002 Å
b	13.9279 ± 0.0012 Å
c	26.375 ± 0.005 Å
α	82.17 ± 0.01°
β	84.019 ± 0.014°
γ	69.999 ± 0.012°
Cell volume	4044.6 ± 1.1 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1599
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.1974
Weighted residual factors for all reflections included in the refinement	0.2301
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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.	4101775.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101775.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101775.cif
24593	2011-09-06	../uploads/cif-deposit/cod/cif Adding structures of 4101775 via cif-deposit CGI script.	4101775.cif