Crystallography Open Database

Information card for entry 7701022

Preview

Coordinates	7701022.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cb2mt-clo4
Formula	C41 H40 Cl N3 O4 P2 Ru S2
Calculated formula	C41 H40 Cl N3 O4 P2 Ru S2
Title of publication	Non-mutagenic Ru(ii) complexes: cytotoxicity, topoisomerase IB inhibition, DNA and HSA binding.
Authors of publication	da Silva, Monize M.; de Camargo, Mariana S.; Correa, Rodrigo S.; Castelli, Silvia; De Grandis, Rone A.; Takarada, Jessica E.; Varanda, Eliana A.; Castellano, Eduardo E.; Deflon, Victor M.; Cominetti, Marcia R.; Desideri, Alessandro; Batista, Alzir A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	39
Pages of publication	14885 - 14897
a	18.669 ± 0.005 Å
b	19.702 ± 0.005 Å
c	21.195 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	7796 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224055 (current)	2019-11-07	cif/ Updating files of 7701022, 7701023, 7701024 Original log message: Adding full bibliography for 7701022--7701024.cif.	7701022.cif
217990	2019-09-05	cif/ Adding structures of 7701022, 7701023, 7701024 via cif-deposit CGI script.	7701022.cif