Crystallography Open Database

Information card for entry 1502653

Preview

Coordinates	1502653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.67 H21.33 N2.67 O3.33 S1.33 Sn1.33
Calculated formula	C18.6667 H21.3333 N2.66667 O3.33333 S1.33333 Sn1.33333
Title of publication	Synthesis and biological activity of organotin 4-methyl-1,2,3-thiadiazole-5-carboxylates and benzo[1,2,3]thiadiazole-7-carboxylates.
Authors of publication	Wang, Zhi-Hong; Guo, Yan-Zhao; Zhang, Jun; Ma, Lin; Song, Hai-Bin; Fan, Zhi-Jin
Journal of publication	Journal of agricultural and food chemistry
Year of publication	2010
Journal volume	58
Journal issue	5
Pages of publication	2715 - 2719
a	11.008 ± 0.002 Å
b	12.502 ± 0.003 Å
c	13.118 ± 0.003 Å
α	74.75 ± 0.03°
β	71.81 ± 0.03°
γ	65.93 ± 0.03°
Cell volume	1546.7 ± 0.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502653.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502653.cif
36606	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502653 via cif-deposit CGI script.	1502653.cif