Crystallography Open Database

Information card for entry 7212586

Preview

Coordinates	7212586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H13 N6 O27.5 Tb2
Calculated formula	C24 H6 N6 O27.5 Tb2
Title of publication	Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids
Authors of publication	Thuéry, Pierre; Masci, Bernardo
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	2982
a	13.5399 ± 0.0006 Å
b	13.5399 ± 0.0006 Å
c	17.0465 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	2706.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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.	7212586.cif
93132	2014-01-12	cif/ Adding structures of 7212586, 7212587, 7212588, 7212589, 7212590 via cif-deposit CGI script.	7212586.cif