Crystallography Open Database

Information card for entry 7029138

Preview

Coordinates	7029138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 Fe I P
Calculated formula	C13 H18 Fe I P
SMILES	[c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[P+](C)(C)C.[I-]
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	20.3608 ± 0.0013 Å
b	20.3608 ± 0.0013 Å
c	20.3608 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	8440.8 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.1088
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.0418
Goodness-of-fit parameter for all reflections included in the refinement	0.475
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7029138.cif
105520	2014-03-12	cif/ Adding structures of 7029138, 7029139 via cif-deposit CGI script.	7029138.cif