Crystallography Open Database

Information card for entry 1512831

Preview

Coordinates	1512831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 Cl2 Fe N5
Calculated formula	C14 H15 Cl2 Fe N5
Title of publication	Synthesis, structure, and magnetic properties of the halide-bridged dimeric complex [(bpmaL1)Fe(mu-Cl)Cl]2
Authors of publication	Minkyu Yang; Eunhee Kim; Jong Hwa Jeong; Kil Sik Min; Hyosun Lee
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	501 - 505
a	8.9804 ± 0.0005 Å
b	9.8764 ± 0.0005 Å
c	10.5081 ± 0.0008 Å
α	111.143 ± 0.006°
β	105.797 ± 0.006°
γ	94.701 ± 0.005°
Cell volume	819.41 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512831.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512831.cif
90978	2013-11-22	cif/ Adding structures of 1512831 via cif-deposit CGI script.	1512831.cif