Crystallography Open Database

Information card for entry 8105566

Preview

Coordinates	8105566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Cl Fe N8 O8
Calculated formula	C24 H22 Cl Fe N8 O8
SMILES	[Fe]1234(Oc5c(C=[N]4Nc4nccc[n]34)cccc5OC)Oc3c(C=[N]2Nc2nccc[n]12)cccc3OC.Cl(=O)(=O)(=O)[O-]
Title of publication	Crystal structure of bis(2-methoxy-6-((2-(pyrimidin-2-yl)hydrazono)methyl)phenolato-κ3 N,N′,O)iron(III) perchlorate, C24H22N8O8ClFe
Authors of publication	Song, Jun-Ying; Wang, Zi-Chuang; Zhang, Juan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	234
Journal issue	1
Pages of publication	133 - 135
a	10.4568 ± 0.0004 Å
b	10.5977 ± 0.0004 Å
c	12.0793 ± 0.0006 Å
α	82.119 ± 0.004°
β	83.277 ± 0.004°
γ	87.206 ± 0.003°
Cell volume	1316.12 ± 0.1 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173.15 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	0.0647
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1501
Weighted residual factors for all reflections included in the refinement	0.1609
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
276397 (current)	2022-06-29	cif/ Adding structures of 8105566 via cif-deposit CGI script.	8105566.cif