Crystallography Open Database

Information card for entry 2241890

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Coordinates	2241890.cif
Structure factors	2241890.hkl
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-diethyl-3-mesitylsulfonyl-1<i>H</i>-1,2,4-triazole-1-carboxamide-κ<i>N</i>^1^)silver(I)]-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]
Formula	C16 H22 Ag N5 O6 S
Calculated formula	C16 H22 Ag N5 O6 S
SMILES	[Ag](ON(=O)=O)([n]1c(S(=O)(=O)c2c(cc(cc2C)C)C)nn(c1)C(=O)N(CC)CC)[O]([Ag][n]1c(S(=O)(=O)c2c(cc(cc2C)C)C)nn(c1)C(=O)N(CC)CC)N(=O)=O
Title of publication	Crystal structure of <i>catena</i>-poly[[(<i>N</i>,<i>N</i>-diethyl-3-mesitylsulfonyl-1<i>H</i>-1,2,4-triazole-1-carboxamide-κ<i>N</i>^1^)silver(I)]-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]
Authors of publication	Park, Hyunjin; Kwon, Eunjin; Yoon, Il; Kim, Jineun
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	11
Pages of publication	1610 - 1613
a	9.0947 ± 0.0002 Å
b	31.0133 ± 0.0006 Å
c	7.1934 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2028.95 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.0533
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
187489 (current)	2016-10-22	cif/ hkl/ Adding structures of 2241890 via cif-deposit CGI script.	2241890.cif 2241890.hkl