Crystallography Open Database

Information card for entry 7024637

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Coordinates	7024637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 Fe O4
Calculated formula	C12 H6 Fe O4
Title of publication	Resin-assisted solvothermal synthesis of transition metal-organic frameworks.
Authors of publication	Du, Yi; Thompson, Amber L.; Russell, Nicola; O'Hare, Dermot
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	14
Pages of publication	3384 - 3395
a	21.1466 ± 0.0008 Å
b	11.1836 ± 0.0004 Å
c	4.7297 ± 0.0002 Å
α	90°
β	92.8883 ± 0.0016°
γ	90°
Cell volume	1117.13 ± 0.07 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for all reflections	0.0939
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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