Crystallography Open Database

Information card for entry 4071799

Preview

Coordinates	4071799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H11 Cl N O2 Rh S
Calculated formula	C19 H11 Cl N O2 Rh S
SMILES	[Rh](Cl)([n]1ccccc1c1c2sc3c(c2ccc1)cccc3)(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	12.494 ± 0.004 Å
b	11.358 ± 0.003 Å
c	13.889 ± 0.005 Å
α	90°
β	116.917 ± 0.006°
γ	90°
Cell volume	1757.4 ± 1 Å³
Cell temperature	193.1 K
Number of distinct elements	7
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	0.0544
Weighted residual factors for all reflections included in the refinement	0.0909
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	4071799.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071799.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071799.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.	4071799.cif