Crystallography Open Database

Information card for entry 4341585

Preview

Coordinates	4341585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H38 Lu N11 O14
Calculated formula	C16 H38 Lu N11 O14
SMILES	C1(=O)O[Lu]234567([N](CC[O]4CC[N]3(CC(=O)O7)CC(=O)O2)(CC(=O)O5)CC(=O)O6)O1.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O
Title of publication	Lower Denticity Leading to Higher Stability: Structural and Solution Studies of Ln(III)-OBETA Complexes.
Authors of publication	Negri, Roberto; Baranyai, Zsolt; Tei, Lorenzo; Giovenzana, Giovanni B.; Platas-Iglesias, Carlos; Bényei, Attila C; Bodnár, Judit; Vágner, Adrienn; Botta, Mauro
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141111091549002
a	9.488 ± 0.0018 Å
b	14.232 ± 0.005 Å
c	20.62 ± 0.002 Å
α	90°
β	93.6 ± 0.005°
γ	90°
Cell volume	2778.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179518 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/15.	4341585.cif
127359	2014-11-16	cif/ Adding structures of 4341585 via cif-deposit CGI script.	4341585.cif