Crystallography Open Database

Information card for entry 4519013

4519012 << 4519013 >> 4519014

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Coordinates	4519013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 F6 Fe2 N O4 S2
Calculated formula	C32 H38 F6 Fe2 N O4 S2
Title of publication	Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.
Authors of publication	Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki
Journal of publication	ACS omega
Year of publication	2021
Journal volume	6
Journal issue	32
Pages of publication	21139 - 21146
a	10.5371 ± 0.0005 Å
b	23.5057 ± 0.0012 Å
c	14.5393 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3601.1 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1945
Weighted residual factors for all reflections included in the refinement	0.2055
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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