Crystallography Open Database

Information card for entry 4342224

Preview

Coordinates	4342224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H39 Cl2 N2 P2 Ru
Calculated formula	C52 H39 Cl2 N2 P2 Ru
SMILES	[Ru]1(Cl)(Cl)([n]2ccnc3c2c2c(c4c3cccc4)cccc12)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Orthometalation of Dibenzo[1,2]quinoxaline with Ruthenium(II/III), Osmium(II/III/IV), and Rhodium(III) Ions and Orthometalated [RuNO](6/7) Derivatives.
Authors of publication	Maity, Suvendu; Kundu, Suman; Saha Roy, Amit; Weyhermüller, Thomas; Ghosh, Prasanta
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1384 - 1394
a	11.9681 ± 0.0015 Å
b	13.3575 ± 0.0017 Å
c	29.6973 ± 0.0011 Å
α	90°
β	96.541 ± 0.006°
γ	90°
Cell volume	4716.6 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4342224.cif
132807	2015-03-04	cif/ Updating files of 4342224, 4342225, 4342226, 4342227 Original log message: Adding full bibliography for 4342224--4342227.cif.	4342224.cif
130430	2015-02-04	cif/ Adding structures of 4342224, 4342225, 4342226, 4342227 via cif-deposit CGI script.	4342224.cif