Crystallography Open Database

Information card for entry 4510145

Preview

Coordinates	4510145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H36 F6 Fe2 N12
Calculated formula	C62 H36 F6 Fe2 N12
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	8.9102 ± 0.0011 Å
b	19.302 ± 0.002 Å
c	15.1245 ± 0.0018 Å
α	90°
β	94.102 ± 0.002°
γ	90°
Cell volume	2594.5 ± 0.5 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1339
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179648 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/01.	4510145.cif
106364	2014-03-15	cif/ Adding structures of 4510144, 4510145, 4510146, 4510147, 4510148, 4510149, 4510150, 4510151, 4510152, 4510153 via cif-deposit CGI script.	4510145.cif