Crystallography Open Database

Information card for entry 4345193

Preview

Coordinates	4345193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H103 Fe4 N25 O22 Tb2
Calculated formula	C47 H103 Fe4 N25 O22 Tb2
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	10.2469 ± 0.0007 Å
b	17.1602 ± 0.0013 Å
c	22.6606 ± 0.0017 Å
α	90°
β	100.924 ± 0.001°
γ	90°
Cell volume	3912.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0666
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.249
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.	4345193.cif
191983	2017-02-11	cif/ Adding structures of 4345193 via cif-deposit CGI script.	4345193.cif