Crystallography Open Database

Information card for entry 7212589

Preview

Coordinates	7212589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 Gd O13
Calculated formula	C17 H13 Gd O13
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	7.339 ± 0.0012 Å
b	10.0486 ± 0.0017 Å
c	12.6313 ± 0.0019 Å
α	72.917 ± 0.005°
β	83.391 ± 0.007°
γ	83.719 ± 0.007°
Cell volume	881.7 ± 0.2 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	0.1156
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.2279
Weighted residual factors for all reflections included in the refinement	0.249
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	7212589.cif
93132	2014-01-12	cif/ Adding structures of 7212586, 7212587, 7212588, 7212589, 7212590 via cif-deposit CGI script.	7212589.cif