Crystallography Open Database

Information card for entry 1551064

Preview

Coordinates	1551064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 F18 Fe O6 P3 S6
Calculated formula	C12 H36 F18.008 Fe O6 P3 S6
Title of publication	Crystal Structure of a Mononuclear Iron(III) Complex, Hexakis(dimethylsulfoxide-κ<i>O</i>)iron(III) Tris(hexafluoridophosphate)
Authors of publication	Shomura, Kaoru; Mitsuhashi, Ryoji; Mikuriya, Masahiro; Kataoka, Yusuke; Handa, Makoto; Sakiyama, Hiroshi
Journal of publication	X-ray Structure Analysis Online
Year of publication	2019
Journal volume	35
Journal issue	0
Pages of publication	31
a	11.598 ± 0.008 Å
b	11.598 ± 0.008 Å
c	25.367 ± 0.018 Å
α	90°
β	90°
γ	120°
Cell volume	2955 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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