Crystallography Open Database

Information card for entry 4345196

Preview

Coordinates	4345196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.4 H100.12 Fe4 Gd2 N25.96 O21.36
Calculated formula	C45.4 H100.12 Fe4 Gd2 N25.96 O21.36
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	10.2661 ± 0.0008 Å
b	17.1652 ± 0.0012 Å
c	22.8568 ± 0.0019 Å
α	90°
β	100.929 ± 0.007°
γ	90°
Cell volume	3954.8 ± 0.5 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	0.0916
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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.	4345196.cif
191986	2017-02-11	cif/ Adding structures of 4345196 via cif-deposit CGI script.	4345196.cif