Crystallography Open Database

Information card for entry 7052603

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Coordinates	7052603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H123 Cl12 Fe11 N0 O42
Calculated formula	C126 H117 Cl12 Fe11 O42
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	27.8503 ± 0.0009 Å
b	27.8503 ± 0.0009 Å
c	31.8394 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	21387.3 ± 1.3 Å³
Cell temperature	296 ± 0.1 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1083
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.2324
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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