Crystallography Open Database

Information card for entry 2101644

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Coordinates	2101644.cif
Original IUCr paper	HTML

Structure parameters

Formula	C4 H4 Fe O6
Calculated formula	C4 H4 Fe O6
Title of publication	Structural relationship of various squarates
Authors of publication	Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu
Journal of publication	Acta Crystallographica Section B
Year of publication	1996
Journal volume	52
Journal issue	6
Pages of publication	966 - 975
a	11.4395 ± 0.0019 Å
b	11.4395 ± 0.0019 Å
c	14.504 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1643.7 ± 0.5 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.028
Weighted residual factors for all reflections	0.032
Weighted residual factors for significantly intense reflections	0.032
Goodness-of-fit parameter for significantly intense reflections	4.68
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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