Crystallography Open Database

Information card for entry 4107360

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Coordinates	4107360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C998.48 H1702.91 Ag2.48 B115.33 Br62.91 Cl8 Fe8 N32 O64 Si64
Calculated formula	C1000.49 H1706.93 Ag2.488 B115.368 Br62.928 Cl8 Fe8 N32 O64 Si64
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	37.028 ± 0.002 Å
b	29.3262 ± 0.0019 Å
c	29.3677 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	31890 ± 3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	10
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.3398
Residual factor for significantly intense reflections	0.0986
Weighted residual factors for significantly intense reflections	0.2398
Weighted residual factors for all reflections included in the refinement	0.2824
Goodness-of-fit parameter for all reflections included in the refinement	1.289
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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