Crystallography Open Database

Information card for entry 4305290

Preview

Coordinates	4305290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H31 O6 P S Sn
Calculated formula	C17 H31 O6 P S Sn
Title of publication	Synthesis, Characterization, and Structural Studies of Mixed-Ligand Diorganotin Esters, [R2Sn(OP(O)(OH)Ph)(OS(O)2R1)]n [R =n-Bu, R1= Me (1), n-Pr (2); R = Et, R1= Me (3)] with 1D and 3D Coordination Polymeric Motifs
Authors of publication	Ravi Shankar; Atul Pratap Singh; Archana Jain; Mary F. Mahon; Kieran C. Molloy
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5930 - 5935
a	9.8494 ± 0.0002 Å
b	14.04 ± 0.0003 Å
c	16.3432 ± 0.0004 Å
α	90°
β	97.338 ± 0.001°
γ	90°
Cell volume	2241.52 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0509
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179090 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/52.	4305290.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305290.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305290.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305290.cif