Crystallography Open Database

Information card for entry 7202678

7202677 << 7202678 >> 7202679

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Coordinates	7202678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.76 H40 Fe N O13 S32
Calculated formula	C51.76 H37 Fe N O13 S32
Title of publication	Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~
Authors of publication	Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter
Journal of publication	Journal of Materials Chemistry
Year of publication	2007
Journal volume	17
Journal issue	24
Pages of publication	2497 - 2499
a	10.296 ± 0.0008 Å
b	20.064 ± 0.003 Å
c	35.1951 ± 0.0008 Å
α	90°
β	92.696 ± 0.0005°
γ	90°
Cell volume	7262.5 ± 1.2 Å³
Cell temperature	296.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275107 (current)	2022-05-06	cif/7/20/26/ Updated bibliography in entries 7202675-7202682.	7202678.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7202678.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202678.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202678.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202678.cif