Crystallography Open Database

Information card for entry 4121636

Preview

Coordinates	4121636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H152 Cs2 N10 Si6 U2
Calculated formula	C66 H152 Cs2 N10 Si6 U2
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	13.8289 ± 0.0005 Å
b	22.9287 ± 0.0009 Å
c	27.1901 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	8621.4 ± 0.6 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.133
Residual factor for significantly intense reflections	0.1154
Weighted residual factors for significantly intense reflections	0.2195
Weighted residual factors for all reflections included in the refinement	0.2274
Goodness-of-fit parameter for all reflections included in the refinement	1.224
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
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.	4121636.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.	4121636.cif
109136	2014-04-09	cif/ Adding structures of 4121632, 4121633, 4121634, 4121635, 4121636, 4121637 via cif-deposit CGI script.	4121636.cif