Crystallography Open Database

Information card for entry 4325158

Preview

Coordinates	4325158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H58 Cl4 N6 O5.25 Ru2
Calculated formula	C53 H58 Cl4 N6 O5.25 Ru2
Title of publication	Redox-Rich Spin-Spin-Coupled Semiquinoneruthenium Dimers with Intense Near-IR Absorption
Authors of publication	Tanaya Kundu; Biprajit Sarkar; Tapan Kumar Mondal; Shaikh M. Mobin; Francisco A. Urbanos; Jan Fiedler; Reyes Jiménez-Aparicio; Wolfgang Kaim; Goutam Kumar Lahiri
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4753 - 4763
a	43.1908 ± 0.0007 Å
b	12.1729 ± 0.0002 Å
c	21.9408 ± 0.0004 Å
α	90°
β	102.241 ± 0.002°
γ	90°
Cell volume	11273.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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 all reflections	0.0934
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1738
Weighted residual factors for all reflections included in the refinement	0.181
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
179354 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/51.	4325158.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325158.cif
43611	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325158 via cif-deposit CGI script.	4325158.cif