Crystallography Open Database

Information card for entry 4302936

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Coordinates	4302936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H100 Cl8 Fe4 N4 O12
Calculated formula	C90 H96 Cl4 Fe4 N4 O12
Title of publication	New Family of Ferric Spin Clusters Incorporating Redox-Activeortho-Dioxolene Ligands
Authors of publication	Yanyan Mulyana; Ayman Nafady; Arindam Mukherjee; Roland Bircher; Boujemaa Moubaraki; Keith S. Murray; Alan M. Bond; Brendan F. Abrahams; Colette Boskovic
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7765 - 7781
a	13.718 ± 0.003 Å
b	15.525 ± 0.003 Å
c	23.129 ± 0.005 Å
α	70.6 ± 0.03°
β	84.28 ± 0.03°
γ	77.13 ± 0.03°
Cell volume	4527.7 ± 1.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1327
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.1967
Goodness-of-fit parameter for all reflections included in the refinement	0.921
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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