Crystallography Open Database

Information card for entry 4075540

Preview

Coordinates	4075540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 F12 O2 P2 S2 Sn
Calculated formula	C24 H40 F12 O2 P2 S2 Sn
SMILES	[Sn]12([S]=P(CC(O1)(C(F)(F)F)C(F)(F)F)(C(C)(C)C)C(C)(C)C)[S]=P(CC(O2)(C(F)(F)F)C(F)(F)F)(C(C)(C)C)C(C)(C)C
Title of publication	Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†
Authors of publication	Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	17
Pages of publication	4170
a	29.6783 ± 0.0015 Å
b	11.4441 ± 0.0006 Å
c	20.1419 ± 0.001 Å
α	90°
β	95.619 ± 0.001°
γ	90°
Cell volume	6808.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
178644 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/55.	4075540.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075540.cif
49302	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075539, 4075540, 4075541, 4075542, 4075543, 4075544, 4075545, 4075546, 4075547 via cif-deposit CGI script.	4075540.cif