Crystallography Open Database

Information card for entry 4328599

Preview

Coordinates	4328599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H178 Cl10 Fe6 N6 O21
Calculated formula	C110 H170 Cl10 Fe6 N6 O21
Title of publication	Chiral Hexanuclear Ferric Wheels
Authors of publication	John Fielden; Manfred Speldrich; Claire Besson; Paul Kögerler
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2734 - 2736
a	12.948 ± 0.003 Å
b	16.65 ± 0.003 Å
c	17.224 ± 0.003 Å
α	63.96 ± 0.03°
β	81.05 ± 0.03°
γ	68.75 ± 0.03°
Cell volume	3109.4 ± 1.5 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	0.064
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1693
Weighted residual factors for all reflections included in the refinement	0.1775
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4328599.html