Crystallography Open Database

Information card for entry 4503329

Preview

Coordinates	4503329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H22 Lu2 N8 O18
Calculated formula	C36 H17 Lu2 N8 O18
Title of publication	The Coordination Chemistry of Benzimidazole-5,6-dicarboxylic Acid with Mn(II), Ni(II), and Ln(III) Complexes (Ln = Tb, Ho, Er, Lu)
Authors of publication	Yao, Yali; Che, Yunxia; Zheng, Jimin
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	7
Pages of publication	2299
a	18.608 ± 0.004 Å
b	12.621 ± 0.003 Å
c	15.378 ± 0.003 Å
α	90°
β	108.63 ± 0.03°
γ	90°
Cell volume	3422.3 ± 1.4 Å³
Cell temperature	296 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation probe	x-ray
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
179564 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/33.	4503329.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503329.cif
41492	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503329 via cif-deposit CGI script.	4503329.cif