Crystallography Open Database

Information card for entry 7229881

Preview

Coordinates	7229881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H43 N3 O4 P2 Ru S
Calculated formula	C51 H43 N3 O4 P2 Ru S
SMILES	[Ru]12(SC(=N[N]1=C(C1=C2c2ccc(OC)cc2OC1=O)C)NC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
Title of publication	An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release
Authors of publication	Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	3
Pages of publication	1539
a	12.2016 ± 0.0007 Å
b	13.4519 ± 0.0007 Å
c	15.1541 ± 0.0009 Å
α	82.857 ± 0.004°
β	79.55 ± 0.005°
γ	65.934 ± 0.005°
Cell volume	2229.9 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1085
Residual factor for significantly intense reflections	0.0839
Weighted residual factors for significantly intense reflections	0.2024
Weighted residual factors for all reflections included in the refinement	0.233
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
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
204738 (current)	2018-01-05	cif/ Adding structures of 7229876, 7229877, 7229878, 7229879, 7229880, 7229881 via cif-deposit CGI script.	7229881.cif