Crystallography Open Database

Information card for entry 4510152

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Coordinates	4510152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H36 F4 Fe2 N4
Calculated formula	C41 H35.99 F4 Fe2 N4
Title of publication	Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States
Authors of publication	Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1459
a	29.4296 ± 0.0019 Å
b	12.2475 ± 0.0007 Å
c	21.0413 ± 0.0011 Å
α	90°
β	103.236 ± 0.002°
γ	90°
Cell volume	7382.6 ± 0.7 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
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	0.0984
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1608
Weighted residual factors for all reflections included in the refinement	0.1885
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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