Crystallography Open Database

Information card for entry 7705291

Preview

Coordinates	7705291.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	RuAQSA
Formula	C26 H25 Cl N2 O Ru
Calculated formula	C26 H25 Cl N2 O Ru
SMILES	[Ru]123456([N](=Cc7c(O1)cccc7)c1cc7c(nc1)cccc7)(Cl)[cH]1[cH]5[c]2([cH]4[cH]3[c]61C(C)C)C
Title of publication	Development of novel ruthenium(II)-arene complexes displaying potent anticancer effects in glioblastoma cells.
Authors of publication	Kumar, Priyaranjan; Mondal, Indranil; Kulshreshtha, Ritu; Patra, Ashis K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	38
Pages of publication	13294 - 13310
a	39.725 ± 0.002 Å
b	16.7767 ± 0.0009 Å
c	7.7208 ± 0.0004 Å
α	90°
β	90.621 ± 0.002°
γ	90°
Cell volume	5145.3 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1057
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
258871 (current)	2020-11-06	cif/ Updating files of 7705291, 7705292, 7705293 Original log message: Adding full bibliography for 7705291--7705293.cif.	7705291.cif
255704	2020-08-28	cif/ Adding structures of 7705291, 7705292, 7705293 via cif-deposit CGI script.	7705291.cif