Crystallography Open Database

Information card for entry 4302766

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Coordinates	4302766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H10 Fe O4
Calculated formula	C13 H10 Fe O4
Title of publication	Polymorphism and Inclusion Properties of Three-Dimensional Metal-Organometallic Frameworks Derived from a Terephthalate Sandwich Compound
Authors of publication	Sayon A. Kumalah; K. Travis Holman
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	6860 - 6872
a	7.5583 ± 0.0012 Å
b	11.1289 ± 0.0018 Å
c	25.784 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2168.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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