Crystallography Open Database

Information card for entry 4329347

Preview

Coordinates	4329347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 N2 O6 Ru
Calculated formula	C24 H27 N2 O6 Ru
SMILES	C1(c2ccccc2)N=[N](c2ccccc2)[Ru]23([O]=1)([O]=C(C)C=C(C)O2)OC(=CC(C)=[O]3)C.CO
Title of publication	Filling Gaps in the Series of Noninnocent Hetero-1,3-diene Chelate Ligands: Ruthenium Complexes of Redox-Active α-Azocarbonyl and α-Azothiocarbonyl Ligands RNNC(R')E, E = O or S
Authors of publication	Fabian Ehret; Martina Bubrin; Ralph Hübner; David Schweinfurth; Ingo Hartenbach; Stanislav Záliš; Wolfgang Kaim
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6237 - 6244
a	8.7692 ± 0.0004 Å
b	12.2019 ± 0.0008 Å
c	12.5343 ± 0.0009 Å
α	70.921 ± 0.003°
β	70.309 ± 0.003°
γ	74.557 ± 0.003°
Cell volume	1174.87 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1247
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
179396 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/93.	4329347.cif
78396	2013-04-02	cif/ Adding structures of 4329347 via cif-deposit CGI script.	4329347.cif