Crystallography Open Database

Information card for entry 7014569

Preview

Coordinates	7014569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 F12 O10 Ru2
Calculated formula	C36 H8 F12 O10 Ru2
Title of publication	Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.
Authors of publication	Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	3
Pages of publication	673 - 682
a	8.882 ± 0.003 Å
b	17.855 ± 0.004 Å
c	12.627 ± 0.003 Å
α	90°
β	109.561 ± 0.003°
γ	90°
Cell volume	1886.9 ± 0.9 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179849 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/45.	7014569.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014569.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014569.cif
14792	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014560, 7014561, 7014562, 7014563, 7014564, 7014565, 7014566, 7014567, 7014568, 7014569, 7014570, 7014571, 7014572, 7014573, 7014574, 7014575 via cif-deposit CGI script.	7014569.cif