Crystallography Open Database

Information card for entry 4083666

Preview

Coordinates	4083666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H27 Bi Cl2 F6 O8 S2
Calculated formula	C19 H27 Bi Cl2 F6 O8 S2
SMILES	[Bi]123(OS(=O)(=O)C(F)(F)F)(c4c(C[O]3C(C)(C)C)cccc4C[O]1C(C)(C)C)[O]=S(O2)(=O)C(F)(F)F.ClCCl
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	10.309 ± 0.0004 Å
b	12.556 ± 0.0009 Å
c	13.514 ± 0.0008 Å
α	97.763 ± 0.005°
β	111.887 ± 0.004°
γ	114.022 ± 0.005°
Cell volume	1395.1 ± 0.18 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
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.	4083666.cif
117705	2014-06-15	cif/ Adding structures of 4083663, 4083664, 4083665, 4083666, 4083667, 4083668 via cif-deposit CGI script.	4083666.cif