Crystallography Open Database

Information card for entry 1506426

Preview

Coordinates	1506426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Cl6 N2 O3.79 Sn
Calculated formula	C28 H26 Cl6 N2 O3.79 Sn
SMILES	[Sn]123([N](c4c([N]1=Cc1c(O2)c(Cl)cc(Cl)c1)cccc4)=Cc1c(O3)c(Cl)cc(Cl)c1)(Cl)Cl.O1CCCC1.C1COCC1
Title of publication	Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts
Authors of publication	Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon
Journal of publication	Macromolecules
Year of publication	2005
Journal volume	38
Journal issue	13
Pages of publication	5406
a	13.713 ± 0.003 Å
b	14.784 ± 0.003 Å
c	15.649 ± 0.003 Å
α	90°
β	107.852 ± 0.004°
γ	90°
Cell volume	3019.8 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0843
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.18
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	1506426.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506426.cif
50307	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506426 via cif-deposit CGI script.	1506426.cif