Crystallography Open Database

Information card for entry 7052642

Preview

Coordinates	7052642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H78 Gd O10 P
Calculated formula	C78 H78 Gd O10 P
Title of publication	Correlation between structural data and spectroscopic studies of a new β-diketonate complex with trivalent europium and gadolinium
Authors of publication	Monteiro, Jorge H. S. K.; Adati, Renata D.; Davolos, Marian R.; Vicenti, Juliano R. M.; Burrow, Robert A.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	6
Pages of publication	1234
a	12.7974 ± 0.0005 Å
b	13.1246 ± 0.0005 Å
c	21.5904 ± 0.0008 Å
α	96.576 ± 0.002°
β	103.758 ± 0.002°
γ	103.779 ± 0.002°
Cell volume	3364.1 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0697
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052642.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052642.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052642.cif
23552	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7052641, 7052642 via cif-deposit CGI script.	7052642.cif