Crystallography Open Database

Information card for entry 4075543

Preview

Coordinates	4075543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H55 F12 N3 O2 P2 Sn
Calculated formula	C34 H55 F12 N3 O2 P2 Sn
SMILES	[Sn]1(OC(CP(C(C)(C)C)C(C)(C)C)(C(F)(F)F)C(F)(F)F)OC(CP(C(C)(C)C)(C(C)(C)C)=[N]1N=NC12CC3CC(C1)CC(C3)C2)(C(F)(F)F)C(F)(F)F
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	10.4018 ± 0.0018 Å
b	11.635 ± 0.002 Å
c	17.737 ± 0.003 Å
α	81.55 ± 0.002°
β	77.711 ± 0.002°
γ	81.393 ± 0.002°
Cell volume	2059 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1015
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
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.	4075543.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075543.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.	4075543.cif