Crystallography Open Database

Information card for entry 4107359

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Coordinates	4107359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H188 F3 Fe N4 O11 S Si8
Calculated formula	C117 H188 F3 Fe N4 O11 S Si8
Title of publication	A Four-Coordinate Fe(III) Porphyrin Cation
Authors of publication	Ming Fang; Scott R. Wilson; Kenneth S. Suslick
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	1134 - 1135
a	35.42 ± 0.02 Å
b	14.532 ± 0.008 Å
c	29.733 ± 0.017 Å
α	90°
β	124.497 ± 0.008°
γ	90°
Cell volume	12613 ± 12 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1717
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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