Crystallography Open Database

Information card for entry 4083663

Preview

Coordinates	4083663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H13 Cl F3 O5 S Sb
Calculated formula	C11 H13 Cl F3 O5 S Sb
SMILES	[Sb]12(Cl)c3c(cccc3C[O]2C)C[O]1C.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Synthesis and Structural Study of Organoantimony(III) and Organobismuth(III) Triflates and Cations Containing O,C,O-Pincer Type Ligands†
Authors of publication	Dostál, Libor; Novák, Petr; Jambor, Roman; Růžička, Aleš; Císařová, Ivana; Jirásko, Robert; Holeček, Jaroslav
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	11
Pages of publication	2911
a	11.766 ± 0.0008 Å
b	7.981 ± 0.0006 Å
c	17.774 ± 0.0009 Å
α	90 ± 0.006°
β	90.837 ± 0.005°
γ	90 ± 0.006°
Cell volume	1668.88 ± 0.19 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1779
Weighted residual factors for all reflections included in the refinement	0.2091
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
178725 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/36.	4083663.cif
117705	2014-06-15	cif/ Adding structures of 4083663, 4083664, 4083665, 4083666, 4083667, 4083668 via cif-deposit CGI script.	4083663.cif