Crystallography Open Database

Information card for entry 7015577

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Coordinates	7015577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H338 Fe16 Gd4 N34 O104
Calculated formula	C144 H288 Fe16 Gd4 N24 O80
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	27.7908 ± 0.0014 Å
b	27.9903 ± 0.0015 Å
c	31.269 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	24323 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0697
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1212
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	No
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.	7015577.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015577.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015577.cif
21194	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015577, 7015578, 7015579 via cif-deposit CGI script.	7015577.cif