Crystallography Open Database

Information card for entry 7212590

Preview

Coordinates	7212590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 O13 Tb
Calculated formula	C17 H13 O13 Tb
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	7.3207 ± 0.0007 Å
b	10.0387 ± 0.0012 Å
c	12.6282 ± 0.0018 Å
α	72.998 ± 0.006°
β	83.552 ± 0.007°
γ	83.817 ± 0.007°
Cell volume	879.13 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1737
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180456 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/25.	7212590.cif
93132	2014-01-12	cif/ Adding structures of 7212586, 7212587, 7212588, 7212589, 7212590 via cif-deposit CGI script.	7212590.cif