Crystallography Open Database

Information card for entry 1547998

Preview

Coordinates	1547998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H124 K N4 O8 P4 Pr Si4
Calculated formula	C89 H124 K N4 O8 P4 Pr Si4
Title of publication	The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes
Authors of publication	Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle
Journal of publication	Nature Communications
Year of publication	2017
Journal volume	8
Pages of publication	14137
a	16.9776 ± 0.0006 Å
b	17.8949 ± 0.0006 Å
c	19.1874 ± 0.0007 Å
α	71.135 ± 0.003°
β	64.209 ± 0.004°
γ	65.333 ± 0.003°
Cell volume	4697.6 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.1554
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
203112 (current)	2017-11-13	cif/ Adding structures of 1547998 via cif-deposit CGI script.	1547998.cif