Crystallography Open Database

Information card for entry 2230666

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Structure parameters

Chemical name	<i>catena</i>-Poly[bis(μ~3~-2-methyl-3,5-dinitrobenzoato)disilver(I)]
Formula	C8 H5 Ag N2 O6
Calculated formula	C8 H5 Ag N2 O6
SMILES	[Ag]12OC(c3c(c(N(=O)=O)cc(N(=O)=O)c3)C)=[O][Ag]32[O](C(=[O]1)c1c(c(N(=O)=O)cc(N(=O)=O)c1)C)[Ag]1([O]3C(=[O]2)c3c(c(N(=O)=O)cc(N(=O)=O)c3)C)[Ag]2OC(=[O]1)c1c(c(N(=O)=O)cc(N(=O)=O)c1)C
Title of publication	<i>catena</i>-Poly[bis(μ~3~-2-methyl-3,5-dinitrobenzoato)disilver(I)]
Authors of publication	Danish, Muhammad; Tahir, M. Nawaz; Ghafoor, Sabiha; Ahmad, Nazir; Nisa, Mehwish
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	7
Pages of publication	m938 - m939
a	5.7073 ± 0.0003 Å
b	11.9204 ± 0.0006 Å
c	14.5117 ± 0.0007 Å
α	90°
β	90.493 ± 0.002°
γ	90°
Cell volume	987.24 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0712
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181228 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/06.	2230666.cif 2230666.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2230666.cif 2230666.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2230666.cif 2230666.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2230666.cif 2230666.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230666.cif 2230666.hkl
23417	2011-08-08	hkl/ Adding Fobs data for the recently deposited coordinates from IUCr.	2230666.cif 2230666.hkl
22981	2011-08-04	../uploads/cif-deposit/cod/cif Adding structures of 2230666 via cif-deposit CGI script.	2230666.cif