Crystallography Open Database

Information card for entry 7029139

Preview

Coordinates	7029139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 F6 Fe N O4 P S2
Calculated formula	C24 H36 F6 Fe N O4 P S2
SMILES	[c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[P+](CCCC)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F
Title of publication	Ferrocenyl-phosphonium ionic liquids - synthesis, characterisation and electrochemistry.
Authors of publication	Kübler, Paul; Sundermeyer, Jörg
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	9
Pages of publication	3750 - 3766
a	10.6934 ± 0.0003 Å
b	14.4249 ± 0.0006 Å
c	20.1051 ± 0.0007 Å
α	90°
β	97.508 ± 0.003°
γ	90°
Cell volume	3074.65 ± 0.19 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	8
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	0.0807
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	0.84
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
179997 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/91.	7029139.cif
105520	2014-03-12	cif/ Adding structures of 7029138, 7029139 via cif-deposit CGI script.	7029139.cif