Crystallography Open Database

Information card for entry 7020318

7020317 << 7020318 >> 7020319

Preview

Coordinates	7020318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80.5 H126 Li4 N4 O6
Calculated formula	C80.5 H126 Li4 N4 O6
Title of publication	A N-aryloxy-β-diketiminate ligand in 4d, 4f and 5f-metals complexes.
Authors of publication	Dulong, Florian; Bathily, Oumou; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	39
Pages of publication	11980 - 11983
a	11.1501 ± 0.0014 Å
b	11.5801 ± 0.001 Å
c	16.331 ± 0.002 Å
α	74.761 ± 0.007°
β	80.257 ± 0.006°
γ	81.093 ± 0.007°
Cell volume	1991.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1491
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1983
Weighted residual factors for all reflections included in the refinement	0.2338
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7020318.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020318.cif
71567	2013-01-20	cif/ Adding structures of 7020316, 7020317, 7020318, 7020319, 7020320, 7020321, 7020322 via cif-deposit CGI script.	7020318.cif