Crystallography Open Database

Information card for entry 2101643

Preview

Coordinates	2101643.cif
Original IUCr paper	HTML

Structure parameters

Formula	C8 H10 Fe O12
Calculated formula	C8 H10 Fe O12
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	5.1577 ± 0.001 Å
b	7.4107 ± 0.0013 Å
c	8.7823 ± 0.0013 Å
α	66.846 ± 0.012°
β	77.109 ± 0.015°
γ	74.748 ± 0.015°
Cell volume	295.05 ± 0.09 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.028
Weighted residual factors for all reflections	0.028
Weighted residual factors for significantly intense reflections	0.028
Goodness-of-fit parameter for significantly intense reflections	3.43
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2101643.html