Crystallography Open Database

Information card for entry 1517571

Preview

Coordinates	1517571.cif

Structure parameters

Formula	C68 H76 Cd2 N8 O8
Calculated formula	C68 H76 Cd2 N8 O8
Title of publication	A series of 2D coordination complexes constructed from a flexible bis(methylbenzimidazole) ligand and different dicarboxylates
Authors of publication	Lu Liu; Yanhua Liu; Gang Han; Dongqing Wu; Hongwei Hou; Yaoting Fan
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	403
Pages of publication	25 - 34
a	19.072 ± 0.004 Å
b	17.965 ± 0.004 Å
c	19.204 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6580 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.0845
Weighted residual factors for significantly intense reflections	0.1816
Weighted residual factors for all reflections included in the refinement	0.1899
Goodness-of-fit parameter for all reflections included in the refinement	1.197
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517571.cif
123517	2014-09-08	cif/ Adding structures of 1517571 via cif-deposit CGI script.	1517571.cif