Crystallography Open Database

Information card for entry 7052916

Preview

Coordinates	7052916.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	iodo-(2,9-dimetyl-1,10-phenanthroline-N,N')- (tris(thiomorpholinomethyl) phosphine-P)-copper(i) hydrate
Chemical name	iodo-(2,9-dimetyl-1,10-phenanthroline-N,N')-(tris(thiomorpholinomethyl) phosphine-P)-copper(i) hydrate
Formula	C29 H42.4 Cu I N5 O0.2 P S3
Calculated formula	C29 H42 Cu I N5 O0.2 P S3
Title of publication	Solid state luminescence of copper(i) (pseudo)halide complexes with neocuproine and aminomethylphosphanes derived from morpholine and thiomorpholine
Authors of publication	Starosta, Radosław; Komarnicka, Urszula K.; Puchalska, Małgorzata; Barys, Maciej
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	8
Pages of publication	1673
a	11.277 ± 0.001 Å
b	15.661 ± 0.001 Å
c	19.109 ± 0.002 Å
α	90°
β	96.66 ± 0.01°
γ	90°
Cell volume	3352 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0664
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	0.923
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7052916.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052916.cif
64379	2012-08-12	cif/ Adding structures of 7052916, 7052917, 7052918 via cif-deposit CGI script.	7052916.cif