Crystallography Open Database

Information card for entry 4116185

Preview

Coordinates	4116185.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ag(Py2O)]BF4
Formula	C10 H8 Ag B F4 N2 O
Calculated formula	C10 H8 Ag B F4 N2 O
Title of publication	Smart Molecular Helical Springs as Tunable Receptors
Authors of publication	Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Jong Ku Park; Hee K. Chae
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	9921 - 9925
a	10.483 ± 0.004 Å
b	8.933 ± 0.001 Å
c	13.707 ± 0.002 Å
α	90 ± 0.01°
β	104.72 ± 0.02°
γ	90 ± 0.02°
Cell volume	1241.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
178932 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/61.	4116185.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116185.cif
70764	2013-01-04	cif/ Adding structures of 4116185 via cif-deposit CGI script.	4116185.cif