Crystallography Open Database

Information card for entry 4505542

Preview

Coordinates	4505542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H108 Eu4 Fe16 N16 O138
Calculated formula	C104 H112 Eu4 Fe16 N16 O138
Title of publication	Cation-Bonding and Protonation of the Fe4-Square Cluster
Authors of publication	Hou, Yu; Rodriguez, Mark A.; Nyman, May
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1422
a	27.249 ± 0.005 Å
b	19.289 ± 0.004 Å
c	19.362 ± 0.004 Å
α	90°
β	97.799 ± 0.004°
γ	90°
Cell volume	10083 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1703
Residual factor for significantly intense reflections	0.1029
Weighted residual factors for significantly intense reflections	0.3125
Weighted residual factors for all reflections included in the refinement	0.3533
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179590 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/55.	4505542.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505542.cif
51800	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505542 via cif-deposit CGI script.	4505542.cif