Crystallography Open Database

Information card for entry 7112891

Preview

Coordinates	7112891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H66 Fe3 Gd N2 O18
Calculated formula	C42 H66 Fe3 Gd N2 O18
SMILES	[Gd]1234567[O]8[Fe]9%10(OC(=CC(=[O]9)C)C)([O]=C(C)C=C(O%10)C)[O]1CC[N]16CC[O]5[Fe]56([O]=C(C=C(O5)C)C)(OC(=CC(=[O]6)C)C)[O]4CC[N]7(CC8)CC[O]2[Fe]24([O]=C(C=C(O2)C)C)([O]=C(C=C(O4)C)C)[O]3CC1
Title of publication	Synthesis, structural and magnetic studies of an isostructural family of mixed 3d/4f tetranuclear 'star' clusters.
Authors of publication	Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Murray, Keith S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	41
Pages of publication	7787 - 7789
a	10.9299 ± 0.0003 Å
b	15.2338 ± 0.0005 Å
c	15.934 ± 0.0007 Å
α	80.298 ± 0.001°
β	82.347 ± 0.001°
γ	82.567 ± 0.003°
Cell volume	2576.26 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1113
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1685
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112891.cif
112143	2014-04-30	cif/ Adding structures of 7112889, 7112890, 7112891, 7112892 via cif-deposit CGI script.	7112891.cif