Crystallography Open Database

Information card for entry 4101861

Preview

Coordinates	4101861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H16 Br2 Cl4 F24 N4 O16 Ru4
Calculated formula	C38 H16 Br2 Cl4.04 F24 N4 O16 Ru4
Title of publication	Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials
Authors of publication	Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	1532 - 1544
a	20.058 ± 0.002 Å
b	20.031 ± 0.002 Å
c	8.5425 ± 0.001 Å
α	90°
β	99.986 ± 0.007°
γ	90°
Cell volume	3380.2 ± 0.6 Å³
Cell temperature	193.1 K
Ambient diffraction temperature	193.1 K
Number of distinct elements	8
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.2893
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4101861.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101861.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101861.cif
24680	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101861 via cif-deposit CGI script.	4101861.cif