Crystallography Open Database

Information card for entry 4350663

Preview

Coordinates	4350663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H122 Cl8 Fe9 N60 O51
Calculated formula	C126 H108 Cl8 Fe9 N60 O51
Title of publication	Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies.
Authors of publication	Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	9
Pages of publication	4655 - 4668
a	18.125 ± 0.008 Å
b	18.678 ± 0.008 Å
c	25.9906 ± 0.001 Å
α	79.35 ± 0.011°
β	85.305 ± 0.017°
γ	89.546 ± 0.015°
Cell volume	8618 ± 5 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 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	0.147
Residual factor for significantly intense reflections	0.12
Weighted residual factors for significantly intense reflections	0.3409
Weighted residual factors for all reflections included in the refinement	0.3834
Goodness-of-fit parameter for all reflections included in the refinement	1.355
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
239979 (current)	2019-11-25	cif/ Adding structures of 4350661, 4350662, 4350663, 4350664, 4350665, 4350666, 4350667 via cif-deposit CGI script.	4350663.cif