Crystallography Open Database

Information card for entry 7053226

Preview

Coordinates	7053226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H48 F12 Fe2 O5 P2
Calculated formula	C56 H42 F12 Fe2 O5 P2
Title of publication	Diferrocenylpyrylium salts and electron rich bispyran from oxidative coupling of ferrocenylpyran. Example of redox systems switched by proton transfer
Authors of publication	Ba, Fatou; Cabon, Nolwenn; Le Poul, Pascal; Kahlal, Samia; Saillard, Jean-Yves; Le Poul, Nicolas; Golhen, Stéphane; Caro, Bertrand; Robin-Le Guen, Françoise
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	7
Pages of publication	2066
a	11.956 ± 0.002 Å
b	16.995 ± 0.004 Å
c	15.106 ± 0.003 Å
α	90°
β	100.308 ± 0.014°
γ	90°
Cell volume	3019.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.238
Residual factor for significantly intense reflections	0.1191
Weighted residual factors for significantly intense reflections	0.3143
Weighted residual factors for all reflections included in the refinement	0.3952
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180086 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/32.	7053226.cif
90696	2013-11-18	cif/ Adding structures of 7053226 via cif-deposit CGI script.	7053226.cif