Crystallography Open Database

Information card for entry 7203140

7203139 << 7203140 >> 7203141

Preview

Coordinates	7203140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H66 N2 O8 P4 S8 Zn2
Calculated formula	C36 H66 N2 O8 P4 S8 Zn2
SMILES	C(C)(C)OP1(OC(C)C)=[S][Zn]([n]2c(/C=C/c3[n]([Zn]4([S]=P(OC(C)C)(OC(C)C)S4)SP(OC(C)C)(OC(C)C)=S)cccc3)cccc2)(S1)SP(=S)(OC(C)C)OC(C)C
Title of publication	Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs
Authors of publication	Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	1
Pages of publication	51
a	7.8735 ± 0.0008 Å
b	17.7046 ± 0.0015 Å
c	20.0325 ± 0.0019 Å
α	90°
β	90.638 ± 0.002°
γ	90°
Cell volume	2792.3 ± 0.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
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	0.079
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180362 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/31.	7203140.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203140.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203140.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203140.cif