Crystallography Open Database

Information card for entry 4336969

Preview

Coordinates	4336969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H56 Ag3 N16 O2.67 S0.67
Calculated formula	C40 H56 Ag3 N16 O2.66667 S0.666667
Title of publication	Solvent or Temperature Induced Diverse Coordination Polymers of Silver(I) Sulfate and Bipyrazole Systems: Syntheses, Crystal Structures, Luminescence, and Sorption Properties
Authors of publication	Li-Yun Du; Wen-Juan Shi; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi; Zhonghua Zhu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	14018 - 14027
a	20.012 ± 0.0017 Å
b	20.012 ± 0.0017 Å
c	25.273 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	8765.3 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	158
Hermann-Mauguin space group symbol	P 3 c 1
Hall space group symbol	P 3 -2"c
Residual factor for all reflections	0.1139
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.18
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179472 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/69.	4336969.cif
103034	2014-02-25	cif/ Adding structures of 4336969 via cif-deposit CGI script.	4336969.cif