Crystallography Open Database

Information card for entry 4083665

Preview

Coordinates	4083665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H13 F6 O8 S2 Sb
Calculated formula	C12 H13 F6 O8 S2 Sb
SMILES	[Sb]12([O](Cc3c2c(ccc3)C[O]1C)C)(OS(=O)(=O)C(F)(F)F)OS(=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	12.233 ± 0.0006 Å
b	12.292 ± 0.0006 Å
c	13.981 ± 0.0005 Å
α	68.775 ± 0.003°
β	81.296 ± 0.003°
γ	87.817 ± 0.002°
Cell volume	1936.8 ± 0.16 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	0.0656
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4083665.cif
117705	2014-06-15	cif/ Adding structures of 4083663, 4083664, 4083665, 4083666, 4083667, 4083668 via cif-deposit CGI script.	4083665.cif