Crystallography Open Database

Information card for entry 4517651

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Coordinates	4517651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 Fe K2 N3 O13
Calculated formula	C14 H24 Fe K2 N3 O13
Title of publication	Effect of Chelation on Iron‒Chromium Redox Flow Batteries
Authors of publication	Waters, Scott E.; Robb, Brian H.; Marshak, Michael P.
Journal of publication	ACS Energy Letters
Year of publication	2020
Pages of publication	1758 - 1762
a	16.1983 ± 0.0015 Å
b	6.9475 ± 0.0007 Å
c	18.7656 ± 0.0017 Å
α	90°
β	94.386 ± 0.003°
γ	90°
Cell volume	2105.7 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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