Crystallography Open Database

Information card for entry 7202948

7202947 << 7202948 >> 7202949

Preview

Coordinates	7202948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 Ag F3 N4 O2
Calculated formula	C42 H28 Ag F3 N4 O2
SMILES	[Ag]([n]1c2c(nc(c3ccccc3)c1c1ccccc1)cccc2)([n]1c2ccccc2nc(c1c1ccccc1)c1ccccc1)OC(=O)C(F)(F)F
Title of publication	Effect of the size of discrete anions on the nuclearity of a complex cation
Authors of publication	Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	9
Pages of publication	828
a	11.1133 ± 0.0003 Å
b	12.2933 ± 0.0002 Å
c	13.1444 ± 0.0003 Å
α	74.591 ± 0.0014°
β	83.1028 ± 0.0011°
γ	74.0146 ± 0.0012°
Cell volume	1662.15 ± 0.07 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.038
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
180360 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/29.	7202948.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202948.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202948.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202948.cif