Crystallography Open Database

Information card for entry 4114765

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Coordinates	4114765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H78 F24 Fe13 N5 O21
Calculated formula	C36.72 H60 F24 Fe13 O16
Title of publication	Synthesis and Structure of [Fe13O4F24(OMe)12]5-: The First Open-Shell Keggin Ion
Authors of publication	Avi Bino; Michael Ardon; Dongwhan Lee; Bernhard Spingler; Stephen J. Lippard
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	4578 - 4579
a	19.4853 ± 0.0007 Å
b	19.4853 ± 0.0007 Å
c	19.4853 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7398.1 ± 0.5 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	6
Space group number	216
Hermann-Mauguin space group symbol	F -4 3 m
Hall space group symbol	F -4 2 3
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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