Crystallography Open Database

Information card for entry 7239446

Preview

Coordinates	7239446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H27 Ag3 F18 Fe2 N6 O2
Calculated formula	C39 H27 Ag3 F18 Fe2 N6 O2
Title of publication	Role of basic sites of substituted ferrocenes in interaction with the trinuclear 3,5-bis(trifluoromethyl)pyrazolates: thermodynamics and structure of complexes
Authors of publication	Titov, Alexey A.; Filippov, Oleg A.; Guseva, Ekaterina A.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Epstein, Lina M.; Belsky, Vitaly K.; Shubina, Elena S.
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	16
Pages of publication	8350
a	19.8409 ± 0.0008 Å
b	13.5269 ± 0.0005 Å
c	17.6393 ± 0.0007 Å
α	90°
β	108.393 ± 0.001°
γ	90°
Cell volume	4492.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0423
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0672
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
244713 (current)	2019-11-28	cif/ Adding structures of 7239446, 7239447, 7239448 via cif-deposit CGI script.	7239446.cif