Crystallography Open Database

Information card for entry 7218586

Preview

Coordinates	7218586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H55 Cl N3 Ni O3 P3 Ru S
Calculated formula	C67 H53 Cl N3 Ni O3 P3 Ru S
Title of publication	Photophysical properties and in vitro cytotoxicity studies of new Ru(ii) carbonyl complexes and mixed geometrical Ru(ii)‒Ni(ii) complex in HS-DNA/BSA protein and human lung (A549) and liver (HepG2) cells
Authors of publication	Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Natarajan, K.
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	94
Pages of publication	51850
a	22.4615 ± 0.0003 Å
b	22.8701 ± 0.0004 Å
c	24.3408 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	12503.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.1911
Residual factor for significantly intense reflections	0.083
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
180516 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/85.	7218586.cif
125834	2014-10-25	cif/ Adding structures of 7218585, 7218586, 7218587 via cif-deposit CGI script.	7218586.cif