Crystallography Open Database

Information card for entry 4302895

Preview

Coordinates	4302895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Cl N3 Ru
Calculated formula	C22 H16 Cl N3 Ru
SMILES	[Ru]123456(Cl)([n]7cccc7=C(c7n1ccc7)c1ccc(C#N)cc1)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61
Title of publication	Heteroleptic Arene Ruthenium Complexes Based onmeso-Substituted Dipyrrins: Synthesis, Structure, Reactivity, and Electrochemical Studies
Authors of publication	Mahendra Yadav; Ashish Kumar Singh; Biswajit Maiti; Daya Shankar Pandey
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7593 - 7603
a	13.1357 ± 0.0003 Å
b	7.3731 ± 0.0001 Å
c	19.0071 ± 0.0005 Å
α	90°
β	101.851 ± 0.002°
γ	90°
Cell volume	1801.62 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.0541
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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
179066 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/28.	4302895.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302895.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302895.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302895.cif