Crystallography Open Database

Information card for entry 7015578

Preview

Coordinates	7015578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H338 Dy4 Fe16 N34 O104
Calculated formula	C156 H288 Dy4 Fe16 N34 O104
Title of publication	Heterometallic 20-membered {Fe16Ln4} (Ln = Sm, Eu, Gd, Tb, Dy, Ho) metallo-ring aggregates.
Authors of publication	Baniodeh, Amer; Hewitt, Ian J.; Mereacre, Valeriu; Lan, Yanhua; Novitchi, Ghenadie; Anson, Christopher E.; Powell, Annie K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	16
Pages of publication	4080 - 4086
a	27.7714 ± 0.0011 Å
b	28.0818 ± 0.0011 Å
c	30.6492 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	23902.4 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1713
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7015578.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015578.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015578.cif
21194	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015577, 7015578, 7015579 via cif-deposit CGI script.	7015578.cif