Crystallography Open Database

Information card for entry 7029466

Preview

Coordinates	7029466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H43 N3 O3 P2 Ru
Calculated formula	C54 H43 N3 O3 P2 Ru
SMILES	[RuH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(OC(=N[N]1=C(c1ncccc1)c1ccccc1)c1occc1)C#[O]
Title of publication	An investigation on new ruthenium(ii) hydrazone complexes as anticancer agents and their interaction with biomolecules.
Authors of publication	Alagesan, Mani; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	16
Pages of publication	6087 - 6099
a	10.4162 ± 0.0004 Å
b	21.7789 ± 0.0009 Å
c	20.2709 ± 0.0009 Å
α	90°
β	97.932 ± 0.003°
γ	90°
Cell volume	4554.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0899
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
180000 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/94.	7029466.cif
108314	2014-03-30	cif/ Adding structures of 7029466, 7029467 via cif-deposit CGI script.	7029466.cif