Crystallography Open Database

Information card for entry 1519162

1519161 << 1519162 >> 1519163

Preview

Coordinates	1519162.cif

Structure parameters

Formula	C38 H26 Cu F6 N6 O7 S2
Calculated formula	C38 Cu F6 N6 O7 S2
SMILES	[Cu]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O
Title of publication	Crystal and Molecular Structure of Tris(1,10-phenanthroline)copper(II) Trifluoromethylsulfonate Monohydrate
Authors of publication	Sletten, Jorunn; Julve, Miguel
Journal of publication	Acta Chemica Scandinavica
Year of publication	1999
Journal volume	53
Pages of publication	631 - 633
a	10.7448 ± 0.0003 Å
b	13.4992 ± 0.0003 Å
c	14.8755 ± 0.0004 Å
α	104.165 ± 0.001°
β	104.284 ± 0.001°
γ	105.723 ± 0.001°
Cell volume	1897.1 ± 0.09 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1494
Diffraction radiation probe	x-ray
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519162.cif
135477	2015-05-03	cif/ Updating files of 1519162 Original log message: Oxygen atoms added	1519162.cif
135476	2015-05-03	cif/ Adding structures of 1519162 via cif-deposit CGI script.	1519162.cif