Crystallography Open Database

Information card for entry 7109442

Preview

Coordinates	7109442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H48 Cl6 Cu2 F6 N4 O6 P2 S2
Calculated formula	C53 H48 Cl6 Cu2 F6 N4 O6 P2 S2
SMILES	[Cu]1234[Cu]5(P61(C(=C1CCCCC1=C6c1[n]5cccc1)c1[n]3cccc1)c1ccccc1)([n]1c(C3=C5CCCCC5=C([P]23c2ccccc2)c2ncccc2)cccc1)[O]=S(=O)(O4)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
Title of publication	Syntheses of CuI polymetallic assemblies from reaction of ligands bearing the 2,5-bis(2-pyridyl)phosphole fragment with CuII precursors
Authors of publication	Mehdi El Sayed Moussa; Fabian Friess; Wenting Shen; Muriel Hissler; Regis Reau; Christophe Lescop
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	6158
a	14.724 ± 0.004 Å
b	14.984 ± 0.004 Å
c	26.752 ± 0.007 Å
α	90°
β	98.041 ± 0.002°
γ	90°
Cell volume	5844 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
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	0.167
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.1883
Weighted residual factors for all reflections included in the refinement	0.2366
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180198 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/94.	7109442.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7109442.cif
86340	2013-06-21	cif/ Adding structures of 7109442, 7109443, 7109444, 7109445, 7109446, 7109447 via cif-deposit CGI script.	7109442.cif