Crystallography Open Database

Information card for entry 4336684

Preview

Coordinates	4336684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 Cl Fe N4 Ni O11.7
Calculated formula	C32 H40 Cl Fe N4 Ni O11.7
Title of publication	Syntheses, Structures, Magnetic Properties, and Density Functional Theory Magneto-Structural Correlations of Bis(μ-phenoxo) and Bis(μ-phenoxo)-μ-acetate/Bis(μ-phenoxo)-bis(μ-acetate) Dinuclear FeIIINiII Compounds
Authors of publication	Susanta Hazra; Sagarika Bhattacharya; Mukesh Kumar Singh; Luca Carrella; Eva Rentschler; Thomas Weyhermueller; Gopalan Rajaraman; Sasankasekhar Mohanta
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12881 - 12892
a	11.7203 ± 0.0007 Å
b	16.0018 ± 0.0009 Å
c	22.9976 ± 0.0011 Å
α	90°
β	117.61 ± 0.003°
γ	90°
Cell volume	3821.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336684.cif
102700	2014-02-22	cif/ Adding structures of 4336684 via cif-deposit CGI script.	4336684.cif