Crystallography Open Database

Information card for entry 4302894

Preview

Coordinates	4302894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 Cl N3 Ru
Calculated formula	C26 H24 Cl N3 Ru
SMILES	[Ru]123456(Cl)([n]7cccc7=C(c7n1ccc7)c1ccc(C#N)cc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C
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	9.6577 ± 0.0006 Å
b	10.4759 ± 0.0006 Å
c	11.9408 ± 0.0007 Å
α	73.948 ± 0.001°
β	77.988 ± 0.001°
γ	83.979 ± 0.001°
Cell volume	1134.12 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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.	4302894.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302894.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302894.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302894.cif