Crystallography Open Database

Information card for entry 7225189

Preview

Coordinates	7225189.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tri(chrysazinato)-di-iron(III) N,N-dimethylformamide solvate hemihydrate
Formula	C45 H26 Fe2 N O13.5
Calculated formula	C45 H26 Fe2 N O13.5
Title of publication	Transition metal coordination complexes of chrysazin
Authors of publication	Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	27
Pages of publication	5121
a	8.2927 ± 0.0004 Å
b	15.5166 ± 0.0007 Å
c	15.8042 ± 0.0006 Å
α	118.226 ± 0.004°
β	92.344 ± 0.004°
γ	92.239 ± 0.004°
Cell volume	1786.34 ± 0.15 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	0.0619
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185227 (current)	2016-08-07	cif/ Updating files of 7225182, 7225183, 7225184, 7225185, 7225186, 7225187, 7225188, 7225189, 7225190, 7225191, 7225192 Original log message: Adding full bibliography for 7225182--7225192.cif.	7225189.cif
182887	2016-05-12	cif/ Adding structures of 7225182, 7225183, 7225184, 7225185, 7225186, 7225187, 7225188, 7225189, 7225190, 7225191, 7225192 via cif-deposit CGI script.	7225189.cif