Crystallography Open Database

Information card for entry 4079973

Preview

Coordinates	4079973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 Cl N3 O Ru
Calculated formula	C29 H32 Cl N3 O Ru
SMILES	[Ru]123456(Cl)(Oc7n(nc(c7C(=[N]1c1ccccc1)CC)C)c1ccccc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C
Title of publication	Cytotoxicity of Ruthenium‒Arene Complexes Containing β-Ketoamine Ligands
Authors of publication	Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Clavel, Catherine M.; Scopelliti, Rosario; Dyson, Paul J.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	1
Pages of publication	309
a	7.9453 ± 0.0007 Å
b	10.8254 ± 0.0012 Å
c	16.0514 ± 0.0018 Å
α	72.925 ± 0.01°
β	89.4 ± 0.012°
γ	80.571 ± 0.008°
Cell volume	1300.9 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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
178688 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/99.	4079973.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079973.cif
74115	2013-02-21	cif/ Adding structures of 4079971, 4079972, 4079973, 4079974 via cif-deposit CGI script.	4079973.cif