Crystallography Open Database

Information card for entry 2018479

2018478 << 2018479 >> 2018480

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Structure parameters

Chemical name	<i>catena</i>-poly[[(nitrato-κ<i>O</i>)silver(I)]-μ-(<i>R</i>,<i>S</i>)- 2-(pyridin-4-ylsulfinyl)pyrimidine-κ^3^<i>N</i>,<i>O</i>:<i>N</i>']
Formula	C9 H7 Ag N4 O4 S
Calculated formula	C9 H7 Ag N4 O4 S
SMILES	[Ag]1(ON(=O)=O)[O]=S(c2nccc[n]12)c2cc[n](cc2)[Ag]1(ON(=O)=O)[O]=S(c2nccc[n]12)c2ccncc2
Title of publication	Supramolecular framework in <i>catena</i>-poly[[(nitrato-κ<i>O</i>)silver(I)]-μ-(<i>R</i>,<i>S</i>)-2-(pyridin-4-ylsulfinyl)pyrimidine-κ^3^<i>N</i>,<i>O</i>:<i>N</i>']
Authors of publication	Wan, Chong-Qing; Wang, Zi-Jia; Qiao, Peng; Wang, Zhi-Wei; Li, Ai-Min
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	5
Pages of publication	m117 - m120
a	4.9972 ± 0.0001 Å
b	21.8972 ± 0.0006 Å
c	10.4994 ± 0.0003 Å
α	90°
β	90.668 ± 0.001°
γ	90°
Cell volume	1148.82 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0512
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
180853 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/84.	2018479.cif 2018479.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018479.cif 2018479.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018479.cif 2018479.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.	2018479.cif 2018479.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2018479.cif 2018479.hkl
60230	2012-06-14	cif/ Adding structures of 2018479 via cif-deposit CGI script.	2018479.cif