Crystallography Open Database

Information card for entry 4345194

Preview

Coordinates	4345194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H103 Fe4 N25 O22 Y2
Calculated formula	C47 H103 Fe4 N25 O22 Y2
Title of publication	A Three-Pronged Attack To Investigate the Electronic Structure of a Family of Ferromagnetic Fe4Ln2 Cyclic Coordination Clusters: A Combined Magnetic Susceptibility, High-Field/High-Frequency Electron Paramagnetic Resonance, and (57)Fe Mössbauer Study.
Authors of publication	Schmidt, Sebastian F. M.; Koo, Changhyun; Mereacre, Valeriu; Park, Jaena; Heermann, Dieter W.; Kataev, Vladislav; Anson, Christopher E.; Prodius, Denis; Novitchi, Ghenadie; Klingeler, Rüdiger; Powell, Annie K.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	9
Pages of publication	4796 - 4806
a	10.2598 ± 0.001 Å
b	17.091 ± 0.003 Å
c	22.703 ± 0.002 Å
α	90°
β	100.993 ± 0.008°
γ	90°
Cell volume	3907.9 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1004
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1632
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
196118 (current)	2017-05-05	cif/ Updating files of 4345193, 4345194, 4345195, 4345196 Original log message: Adding full bibliography for 4345193--4345196.cif.	4345194.cif
191984	2017-02-11	cif/ Adding structures of 4345194 via cif-deposit CGI script.	4345194.cif