Crystallography Open Database

Information card for entry 7211048

Preview

Coordinates	7211048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Ag N11 O8
Calculated formula	C16 H22 Ag N11 O8
SMILES	[Ag]([n]1c2c(n(CCC)c1)ncn(=O)c2N)[n]1c2c(n(CCC)c1)ncn(=O)c2N.O=N(=O)[O-].O.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	6.616 ± 0.005 Å
b	11.643 ± 0.005 Å
c	30.632 ± 0.005 Å
α	90 ± 0.005°
β	95.291 ± 0.005°
γ	90 ± 0.005°
Cell volume	2350 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0449
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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.	7211048.cif
90191	2013-11-17	cif/ Adding structures of 7211048, 7211049, 7211050, 7211051, 7211052 via cif-deposit CGI script.	7211048.cif