Crystallography Open Database

Information card for entry 4350665

Preview

Coordinates	4350665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H84 Cl12 Fe7.47 N54 O36
Calculated formula	C114 H84 Cl12 Fe7.468 N54 O36
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	20.2231 ± 0.0008 Å
b	20.2231 ± 0.0008 Å
c	22.415 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	9167.1 ± 1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.1102
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.2237
Weighted residual factors for all reflections included in the refinement	0.2484
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
239979 (current)	2019-11-25	cif/ Adding structures of 4350661, 4350662, 4350663, 4350664, 4350665, 4350666, 4350667 via cif-deposit CGI script.	4350665.cif