Crystallography Open Database

Information card for entry 4071797

Preview

Coordinates	4071797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H26 N2 O4 Ru2 S2
Calculated formula	C40 H26 N2 O4 Ru2 S2
SMILES	[Ru]123([S]([Ru]45([S]1c1c(c6cccc(c7[n]4ccc(c7)C)c56)cccc1)(C#[O])C#[O])c1c(c4cccc(c5[n]2ccc(c5)C)c34)cccc1)(C#[O])C#[O]
Title of publication	Ruthenium and Rhodium Complexes with Thiolate-Containing Pincer Ligands Produced by C−S Bond Cleavage of Pyridyl-Substituted Dibenzothiophenes
Authors of publication	Shibue, Mayuko; Hirotsu, Masakazu; Nishioka, Takanori; Kinoshita, Isamu
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	17
Pages of publication	4475
a	10.3493 ± 0.0015 Å
b	11.1995 ± 0.0019 Å
c	16.002 ± 0.002 Å
α	110.508 ± 0.003°
β	90.724 ± 0.0016°
γ	107.414 ± 0.003°
Cell volume	1643.2 ± 0.4 Å³
Cell temperature	193.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.028
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
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.	4071797.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071797.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071797.cif
44048	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071794, 4071795, 4071796, 4071797, 4071798, 4071799, 4071800 via cif-deposit CGI script.	4071797.cif