Crystallography Open Database

Information card for entry 7218741

Preview

Coordinates	7218741.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(5,5'-dimethyl-2,2'-bipyridine)[N-5-(triphenylphosphoniomethyl)-salicylaldehyde 4-fluorobenzoylhydrazonato] copper(II) dihydrate
Formula	C45 H39 Cl Cu F N4 O4 P
Calculated formula	C45 H39 Cl Cu F N4 O4 P
Title of publication	SYNTHESIS, CHARACTERIZATION AND BIOLOGICAL EVALUATION OF CATIONIC HYDRAZONE COPPER COMPLEXES WITH DIVERSE DIIMINE CO-LIGANDS.
Authors of publication	Chew, Shin Thung; Lo, Kong Mun; Sinniah, Saravana Kumar; Sim, Kae Shin; Tan, Kong Wai
Journal of publication	RSC Adv.
Year of publication	2014
a	10.7354 ± 0.0004 Å
b	13.2515 ± 0.0005 Å
c	14.9015 ± 0.0006 Å
α	80.534 ± 0.003°
β	69.109 ± 0.003°
γ	81.43 ± 0.003°
Cell volume	1944.14 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
180518 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/87.	7218741.cif
126773	2014-11-11	cif/ Adding structures of 7218739, 7218740, 7218741 via cif-deposit CGI script.	7218741.cif