Crystallography Open Database

Information card for entry 7218082

Preview

Coordinates	7218082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H48 Cl9 Cu N6 O3 P2
Calculated formula	C57 H48 Cl9 Cu N6 O3 P2
Title of publication	Synthesis, structure, characterization and photophysical properties of copper(I) complexes containing polypyridyl ligands
Authors of publication	Campos, Jose Jesus; Baez, Alberto; Cruz, Adriana; Baldenebro, Adrian; Höpfl, Herbert; Glossman-Mitnik, Daniel; Parra, Miguel; Soto, Valentín Miranda
Journal of publication	RSC Advances
Year of publication	2014
a	16.0948 ± 0.0011 Å
b	21.1398 ± 0.0015 Å
c	17.9889 ± 0.0012 Å
α	90°
β	100.028 ± 0.001°
γ	90°
Cell volume	6027.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1588
Weighted residual factors for all reflections included in the refinement	0.165
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180511 (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 7/21/80.	7218082.cif
123697	2014-09-11	cif/ Adding structures of 7218082, 7218083 via cif-deposit CGI script.	7218082.cif