Crystallography Open Database

Information card for entry 7041116

Preview

Coordinates	7041116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H47 F6 Fe N4 O6.5 P2 Ru S2
Calculated formula	C57 H47 F6 Fe N4 O6.5 P2 Ru S2
Title of publication	Heteroleptic mononuclear compounds of ruthenium(ii): synthesis, structural analyses, in vitro antitumor activity and in vivo toxicity on zebrafish embryos.
Authors of publication	Lenis-Rojas, O A; Fernandes, A. R.; Roma-Rodrigues, C; Baptista, P. V.; Marques, F.; Pérez-Fernández, D; Guerra-Varela, J; Sánchez, L; Vázquez-García, D; Torres, M López; Fernández, A; Fernández, J J
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	47
Pages of publication	19127 - 19140
a	14.05 ± 0.006 Å
b	23.03 ± 0.005 Å
c	16.094 ± 0.004 Å
α	90°
β	90.751 ± 0.005°
γ	90°
Cell volume	5207 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0672
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
190202 (current)	2017-01-09	cif/ Updating files of 7041113, 7041114, 7041115, 7041116 Original log message: Adding full bibliography for 7041113--7041116.cif.	7041116.cif
188026	2016-11-08	cif/ Adding structures of 7041113, 7041114, 7041115, 7041116 via cif-deposit CGI script.	7041116.cif