Crystallography Open Database

Information card for entry 4121637

Preview

Coordinates	4121637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H116 K N5 O10 Si3 U
Calculated formula	C53 H116 K N5 O10 Si3 U
Title of publication	Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.
Authors of publication	King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	15
Pages of publication	5619
a	27.1227 ± 0.0004 Å
b	20.4398 ± 0.0003 Å
c	24.3891 ± 0.0004 Å
α	90°
β	101.169 ± 0.0014°
γ	90°
Cell volume	13264.8 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0409
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179018 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/16.	4121637.cif
110329	2014-04-18	cif/ Updating files of 4121632, 4121633, 4121634, 4121635, 4121636, 4121637 Original log message: Adding full bibliography for 4121632--4121637.cif.	4121637.cif
109136	2014-04-09	cif/ Adding structures of 4121632, 4121633, 4121634, 4121635, 4121636, 4121637 via cif-deposit CGI script.	4121637.cif