Crystallography Open Database

Information card for entry 1516987

Preview

Coordinates	1516987.cif

Structure parameters

Formula	C10 H16 O10 Zn
Calculated formula	C10 H16 O10 Zn
Title of publication	Synthesis and crystal structures of complexes based on the ligand meso-1,4-phenylenebis(hydroxyacetic acid)
Authors of publication	Marlon T. Conato; Xiqu Wang; Allan J. Jacobson
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	401
Pages of publication	24 - 29
a	20.7801 ± 0.0014 Å
b	12.8656 ± 0.0009 Å
c	10.2531 ± 0.0007 Å
α	90°
β	102.678 ± 0.001°
γ	90°
Cell volume	2674.3 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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.	1516987.cif
119855	2014-07-09	cif/ Adding structures of 1516987 via cif-deposit CGI script.	1516987.cif