Crystallography Open Database

Information card for entry 4108181

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Coordinates	4108181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C255 H552 Cl12 Fe64 N32 O327
Calculated formula	C255 Cl12.02 Fe64 N32 O327.05
Title of publication	A 64-Nuclear Cubic Cage Incorporating Propeller-like FeIII8 Apices and HCOO- Edges
Authors of publication	Tao Liu; Yan-Juan Zhang; Zhe-Ming Wang; Song Gao
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	10500 - 10501
a	28.8303 ± 0.0002 Å
b	28.8303 ± 0.0002 Å
c	110.4313 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	79491.6 ± 1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1141
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1634
Weighted residual factors for all reflections included in the refinement	0.1897
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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