Crystallography Open Database

Information card for entry 4112758

Preview

Coordinates	4112758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H72 Fe8 O64
Calculated formula	C16 Fe8 O64.06
Title of publication	Highly Symmetric Networks Derived from Cubane-Related Octametallic Complexes of a New Oxyanion of Carbon, C4O74-, Each Molecule Attached to Eight Neighbors by 24 Equivalent Hydrogen Bonds
Authors of publication	Brendan F. Abrahams; Timothy A. Hudson; Richard Robson
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	8624 - 8625
a	15.0971 ± 0.0019 Å
b	15.0971 ± 0.0019 Å
c	15.0971 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3441 ± 0.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
178898 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/27.	4112758.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112758.cif
65171	2012-09-05	cif/ Adding structures of 4112758 via cif-deposit CGI script.	4112758.cif