Crystallography Open Database

Information card for entry 7045115

Preview

Coordinates	7045115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 Fe I S
Calculated formula	C12 H15 Fe I S
SMILES	[c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[S+](C)C.[I-]
Title of publication	Ferrocenyl-sulfonium ionic liquids - synthesis, characterization and electrochemistry.
Authors of publication	Venker, Alexander; Vollgraff, Tobias; Sundermeyer, Jörg
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	6
Pages of publication	1933 - 1941
a	15.436 ± 0.0006 Å
b	9.5323 ± 0.0004 Å
c	8.8874 ± 0.0003 Å
α	90°
β	93.079 ± 0.001°
γ	90°
Cell volume	1305.81 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0256
Residual factor for significantly intense reflections	0.0186
Weighted residual factors for significantly intense reflections	0.0364
Weighted residual factors for all reflections included in the refinement	0.0376
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
229589 (current)	2019-11-17	cif/ Updating files of 7045114, 7045115 Original log message: Adding full bibliography for 7045114--7045115.cif.	7045115.cif
204438	2017-12-21	cif/ Adding structures of 7045114, 7045115 via cif-deposit CGI script.	7045115.cif