Crystallography Open Database

Information card for entry 7026629

Preview

Coordinates	7026629.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	9-Bzadenine silver complex
Formula	C26 H22 Ag N12 O3
Calculated formula	C26 H22 Ag N12 O3
SMILES	c1[n](c(c2c(n1)n(cn2)Cc1ccccc1)N)[Ag]([N]#CC)[n]1cnc2c(c1N)ncn2Cc1ccccc1.O=N(=O)[O-]
Title of publication	Probing structural consequences of N9-alkylation in silver-adenine frameworks.
Authors of publication	Mishra, Ashutosh Kumar; Prajapati, Rajneesh Kumar; Verma, Sandeep
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	42
Pages of publication	10034 - 10037
a	23.072 ± 0.005 Å
b	19.976 ± 0.005 Å
c	6.025 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2777 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
179972 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/66.	7026629.cif
93549	2014-01-13	cif/ Adding structures of 7026629, 7026630, 7026631, 7026632, 7026633 via cif-deposit CGI script.	7026629.cif