Crystallography Open Database

Information card for entry 7052602

Preview

Coordinates	7052602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H81 Cl15 Fe6 N2 O26
Calculated formula	C85 H79 Cl15 Fe6 N2 O26
Title of publication	Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species
Authors of publication	Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	4
Pages of publication	842
a	23.155 ± 0.005 Å
b	16.13 ± 0.003 Å
c	27.693 ± 0.006 Å
α	90°
β	92.01 ± 0.03°
γ	90°
Cell volume	10337 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1233
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.2224
Weighted residual factors for all reflections included in the refinement	0.2623
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052602.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052602.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052602.cif
21237	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7052600, 7052601, 7052602, 7052603 via cif-deposit CGI script.	7052602.cif