Crystallography Open Database

Information card for entry 1542406

Preview

Coordinates	1542406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H80 N2 O2 P2 Si2 Th
Calculated formula	C62 H80 N2 O2 P2 Si2 Th
Title of publication	Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds
Authors of publication	Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	5
Pages of publication	3286
a	19.1242 ± 0.0017 Å
b	16.7581 ± 0.0014 Å
c	18.8909 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	6054.3 ± 1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
182630 (current)	2016-05-06	cif/ Updating files of 1542406, 1542407 Original log message: Adding full bibliography for 1542406--1542407.cif.	1542406.cif
176215	2016-02-05	cif/ Adding structures of 1542406, 1542407 via cif-deposit CGI script.	1542406.cif