Crystallography Open Database

Information card for entry 7214349

Preview

Coordinates	7214349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Fe N2
Calculated formula	C13 H12 Fe N2
Title of publication	A ferrocene imidazolium-based macrocycle as an electrochemical chemosensor for halide anions
Authors of publication	Caballero, Antonio; White, Nicholas G.; Beer, Paul D.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	18
Pages of publication	3694
a	7.4198 ± 0.0001 Å
b	9.8609 ± 0.0001 Å
c	14.6526 ± 0.0002 Å
α	90°
β	90.3167 ± 0.0005°
γ	90°
Cell volume	1072.05 ± 0.02 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for all reflections	0.1085
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.0157
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7214349.cif
109292	2014-04-10	cif/ Adding structures of 7214349, 7214350 via cif-deposit CGI script.	7214349.cif