Crystallography Open Database

Information card for entry 4314734

Preview

Coordinates	4314734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H92 F18 Lu2 N17 O25 S6
Calculated formula	C96 H92 F18 Lu2 N17 O25 S6
Title of publication	Planned Failures from the Principle of Maximum Site Occupancy in Lanthanide Helicates
Authors of publication	Jean-François Lemonnier; Laure Guénée; Gérald Bernardinelli; Jean-François Vigier; Bernard Bocquet; Claude Piguet
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1252 - 1265
a	14.893 ± 0.002 Å
b	17.5 ± 0.002 Å
c	29.853 ± 0.004 Å
α	79.404 ± 0.01°
β	84.601 ± 0.011°
γ	68.285 ± 0.01°
Cell volume	7102.2 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1766
Residual factor for significantly intense reflections	0.1327
Weighted residual factors for significantly intense reflections	0.3229
Weighted residual factors for all reflections included in the refinement	0.3378
Goodness-of-fit parameter for all reflections included in the refinement	1.638
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
179227 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/47.	4314734.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314734.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314734.cif
7877	2011-02-02	../uploads/cif-deposit/cod/cif Adding structures of 4314734 via cif-deposit CGI script.	4314734.cif