Crystallography Open Database

Information card for entry 4305745

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Coordinates	4305745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H90 Fe2 N8 O16
Calculated formula	C68 H86 Fe2 N8 O16
Title of publication	Reversible Core-Interconversion of an Iron(III) Dihydroxo Bridged Complex
Authors of publication	Athanassios K. Boudalis; Juan Modesto Clemente-Juan; Françoise Dahan; Vassilis Psycharis; Catherine P. Raptopoulou; Bruno Donnadieu; Yiannis Sanakis; Jean-Pierre Tuchagues
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11314 - 11323
a	17.5819 ± 0.0013 Å
b	17.5819 ± 0.0013 Å
c	11.7959 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3646.4 ± 0.5 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	94
Hermann-Mauguin space group symbol	P 42 21 2
Hall space group symbol	P 4n 2n
Residual factor for all reflections	0.1014
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1816
Weighted residual factors for all reflections included in the refinement	0.2009
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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