Crystallography Open Database

Information card for entry 4311212

Preview

Coordinates	4311212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 Cl4 F6 N2 O8 S2 Sn
Calculated formula	C36 H50 Cl4 F6 N2 O8 S2 Sn
SMILES	[Sn]123(Oc4c(cc(cc4C=[N]2CC[N]3=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)C(C)(C)C)C(C)(C)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.ClCCl.ClCCl
Title of publication	(Salen)Tin Complexes: Syntheses, Characterization, Crystal Structures, and Catalytic Activity in the Formation of Propylene Carbonate from CO2 and Propylene Oxide
Authors of publication	Huanwang Jing; Smita K. Edulji; Julianne M. Gibbs; Charlotte L. Stern; Hongying Zhou; Sonbinh T. Nguyen
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4315 - 4327
a	12.778 ± 0.003 Å
b	26.361 ± 0.006 Å
c	13.618 ± 0.003 Å
α	90°
β	92.459 ± 0.003°
γ	90°
Cell volume	4582.9 ± 1.8 Å³
Cell temperature	153.2 K
Ambient diffraction temperature	153.2 K
Number of distinct elements	8
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	0.0708
Residual factor for significantly intense reflections	0.046
Weighted residual factors for all reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.042
Goodness-of-fit parameter for all reflections	2.851
Goodness-of-fit parameter for all reflections included in the refinement	2.85
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311212.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4311212.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311212.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311212.cif
2707	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311212 via cif-deposit CGI script.	4311212.cif