Crystallography Open Database

Information card for entry 7126930

Preview

Coordinates	7126930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H39 F6 N6 O2 P Ru
Calculated formula	C49 H39 F6 N6 O2 P Ru
Title of publication	Ru(ii) photosensitizers competent for hypoxic cancers via green light activation.
Authors of publication	Ballester, Francisco J.; Ortega, Enrique; Bautista, Delia; Santana, M. Dolores; Ruiz, José
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	71
Pages of publication	10301 - 10304
a	13.6054 ± 0.0009 Å
b	13.9682 ± 0.0009 Å
c	15.6806 ± 0.001 Å
α	66.457 ± 0.002°
β	65.954 ± 0.002°
γ	81.255 ± 0.002°
Cell volume	2494.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0757
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
255977 (current)	2020-09-06	cif/ Updating files of 7126930 Original log message: Adding full bibliography for 7126930.cif.	7126930.cif
254364	2020-07-17	cif/ Adding structures of 7126930 via cif-deposit CGI script.	7126930.cif