Crystallography Open Database

Information card for entry 7218083

Preview

Coordinates	7218083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H44 Cu N7 O4 P2
Calculated formula	C54 H44 Cu N7 O4 P2
SMILES	[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c(nc(nc2c2ncccc2)c2ncccc2)c2[n]1cccc2.N(=O)(=O)[O-].O
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	10.7485 ± 0.0016 Å
b	14.948 ± 0.002 Å
c	16.371 ± 0.003 Å
α	86.29 ± 0.002°
β	73.06 ± 0.002°
γ	70.947 ± 0.002°
Cell volume	2377 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
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.	7218083.cif
123697	2014-09-11	cif/ Adding structures of 7218082, 7218083 via cif-deposit CGI script.	7218083.cif