Crystallography Open Database

Information card for entry 1507924

Preview

Structure parameters

Formula	C25 H20 O6
Calculated formula	C25 H20 O6
SMILES	O(C)C(=O)c1c(O)c(c2c(c1)cccc2)Cc1c2ccccc2cc(c1O)C(=O)OC
Title of publication	Binuclear copper(II) complexes 1: Synthesis, characterization and evaluation of a new complex in phosphatase-like activity
Authors of publication	Schickea, Olivier; Faurea, Bruno; Giorgib, Michel; Simaana, A. Jalila; Reglier, Marius
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	391
Pages of publication	189 - 194
a	10.329 ± 0.0007 Å
b	14.725 ± 0.0009 Å
c	26.376 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4011.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1096
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1507924.cif
176729	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.	1507924.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507924.cif
62470	2012-07-09	cif/ Adding structures of 1507924 via cif-deposit CGI script.	1507924.cif