Crystallography Open Database

Information card for entry 1507927

Preview

Coordinates	1507927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 Cu F6 N4 O7 S2
Calculated formula	C23 H22 Cu F6 N4 O7 S2
SMILES	[Cu]12([OH2])([N](Cc3[n]1cccc3)(Cc1[n]2cccc1)Cc1ccccc1)[N]#CC.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
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	11.069 ± 0.0006 Å
b	8.641 ± 0.007 Å
c	16.481 ± 0.001 Å
α	90°
β	108.812 ± 0.002°
γ	90°
Cell volume	1492.2 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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.	1507927.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507927.cif
62473	2012-07-09	cif/ Adding structures of 1507927 via cif-deposit CGI script.	1507927.cif