Crystallography Open Database

Information card for entry 1516985

Preview

Coordinates	1516985.cif

Structure parameters

Formula	C10 H8 O6 Pb
Calculated formula	C10 H8 O6 Pb
SMILES	[Pb]1OC(=O)[C@H]([OH]1)c1ccc([C@H]([OH]2)C(=O)O[Pb]23OC(=O)[C@@H]([OH]3)c2ccc([C@@H](O)C(=O)[O-])cc2)cc1
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	10.2009 ± 0.0012 Å
b	9.7997 ± 0.0011 Å
c	10.1272 ± 0.0012 Å
α	90°
β	101.047 ± 0.001°
γ	90°
Cell volume	993.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0276
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	1516985.cif
119853	2014-07-09	cif/ Adding structures of 1516985 via cif-deposit CGI script.	1516985.cif