Crystallography Open Database

Information card for entry 4071505

Preview

Coordinates	4071505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 F6 O9 S2 Sn
Calculated formula	C18 H20 F6 O9 S2 Sn
SMILES	[Sn]12([OH2])(c3c(cccc3C[O]2C)C[O]1C)(c1ccccc1)OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Role of Y,C,Y-Chelating Ligands in Control Hydrolysis of Diorganotin Compounds†
Authors of publication	Kašná, Blanka; Dostál, Libor; Jirásko, Robert; Císařová, Ivana; Jambor, Roman
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3743
a	10.0999 ± 0.0003 Å
b	10.4971 ± 0.0003 Å
c	11.9202 ± 0.0002 Å
α	73.1794 ± 0.0016°
β	86.1036 ± 0.0016°
γ	85.105 ± 0.0011°
Cell volume	1204.05 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0292
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0601
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178604 (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 4/07/15.	4071505.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071505.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071505.cif
43874	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071505, 4071506 via cif-deposit CGI script.	4071505.cif