Crystallography Open Database

Information card for entry 7211049

Preview

Coordinates	7211049.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N9-propyladenine-N1-oxide_AgBF4
Formula	C16 H22 Ag B F4 N10 O4
Calculated formula	C16 H22 Ag B F4 N10 O4
SMILES	[Ag]([n]1c2c(n(CCC)c1)ncn(=O)c2N)[n]1c2c(ncn(=O)c2N)n(c1)CCC.[B](F)(F)(F)[F-].O.O
Title of publication	Counteranion-directed structural consequences in silver‒adenine N-oxide complexes
Authors of publication	Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9316
a	6.72 ± 0.005 Å
b	11.611 ± 0.005 Å
c	30.232 ± 0.005 Å
α	90°
β	95.504 ± 0.005°
γ	90°
Cell volume	2348 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0816
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1941
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
180441 (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 7/21/10.	7211049.cif
90191	2013-11-17	cif/ Adding structures of 7211048, 7211049, 7211050, 7211051, 7211052 via cif-deposit CGI script.	7211049.cif