Crystallography Open Database

Information card for entry 4332690

Preview

Coordinates	4332690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H37 N5 O3 Ru
Calculated formula	C37 H37 N5 O3 Ru
SMILES	[Ru]123(Oc4ccc(C)cc4N=[N]1c1c(cccc1C)C)(Oc1ccc(C)cc1[N]2=Nc1c(cccc1C)C)Oc1ccc(C)cc1N3
Title of publication	Synthesis, Structure, and Electrochemical Properties of a Family of 2-(Arylazo)phenolate Complexes of Ruthenium with Unusual C−C Coupling and NN Cleavage
Authors of publication	Halder, Sarmistha; Acharyya, Rama; Peng, Shie-Ming; Lee, Gene-Hsiang; Drew, Michael G. B.; Bhattacharya, Samaresh
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	24
Pages of publication	9654 - 9663
a	10.6497 ± 0.0002 Å
b	19.4497 ± 0.0005 Å
c	16.6027 ± 0.0005 Å
α	90°
β	106.357 ± 0.001°
γ	90°
Cell volume	3299.78 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1128
Residual factor for significantly intense reflections	0.0898
Weighted residual factors for significantly intense reflections	0.2108
Weighted residual factors for all reflections included in the refinement	0.2318
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
179429 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/26.	4332690.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4332690.cif
98484	2014-01-30	cif/ Adding structures of 4332690 via cif-deposit CGI script.	4332690.cif