Crystallography Open Database

Information card for entry 4083362

Preview

Coordinates	4083362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H24 Cl2 Fe N4 O3
Calculated formula	C39 H24 Cl2 Fe N4 O3
Title of publication	Ferrocene‒Triazole‒Pyrene Triads as Multichannel Heteroditopic Recognition Receptors for Anions, Cations and Ion Pairs
Authors of publication	González, Mar\?ía del Carmen; Otón, Francisco; Orenes, Raúl A.; Espinosa, Arturo; Tárraga, Alberto; Molina, Pedro
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	11
Pages of publication	2837
a	7.0939 ± 0.0005 Å
b	12.2705 ± 0.0008 Å
c	19.1313 ± 0.0013 Å
α	74.721 ± 0.002°
β	86.629 ± 0.002°
γ	80.211 ± 0.002°
Cell volume	1582.88 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1461
Residual factor for significantly intense reflections	0.0928
Weighted residual factors for significantly intense reflections	0.2461
Weighted residual factors for all reflections included in the refinement	0.2726
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178722 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/33.	4083362.cif
119273	2014-07-05	cif/ Updating files of 4083361, 4083362 Original log message: Adding full bibliography for 4083361--4083362.cif.	4083362.cif
114318	2014-05-23	cif/ Adding structures of 4083361, 4083362 via cif-deposit CGI script.	4083362.cif