Crystallography Open Database

Information card for entry 4345362

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Structure parameters

Formula	C56 H110 Cl4 Er2 Fe4 N16 O24
Calculated formula	C56 H110 Cl4 Er2 Fe4 N16 O24
Title of publication	Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.
Authors of publication	Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	1814 - 1822
a	12.343 ± 0.007 Å
b	14.249 ± 0.008 Å
c	14.469 ± 0.008 Å
α	117.314 ± 0.008°
β	101.602 ± 0.009°
γ	96.385 ± 0.009°
Cell volume	2153 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4345362.cif
192930	2017-03-04	cif/ Adding structures of 4345362 via cif-deposit CGI script.	4345362.cif