Crystallography Open Database

Information card for entry 4348481

Preview

Coordinates	4348481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H52 F6 N3 O6 P3 Ru S2
Calculated formula	C50 H52 F6 N3 O6 P3 Ru S2
Title of publication	Synthesis and Antiproliferative Activity of [RuCp(PPh3)2(HdmoPTA)](OSO2CF3)2 (HdmoPTA = 3,7-H-3,7-Dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).
Authors of publication	Mendoza, Zenaida; Lorenzo-Luis, Pablo; Serrano-Ruiz, Manuel; Martín-Batista, Elva; Padrón, José M; Scalambra, Franco; Romerosa, Antonio
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	16
Pages of publication	7820 - 7822
a	11.2838 ± 0.0002 Å
b	15.0822 ± 0.0003 Å
c	30.4789 ± 0.0006 Å
α	90°
β	98.7722 ± 0.0009°
γ	90°
Cell volume	5126.36 ± 0.17 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	300.7 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232985 (current)	2019-11-23	cif/ Adding structures of 4348481 via cif-deposit CGI script.	4348481.cif