Crystallography Open Database

Information card for entry 1558165

Preview

Coordinates	1558165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H31 Cl F6 N2 O P Ru Sb
Calculated formula	C17 H31 Cl F6 N2 O P Ru Sb
SMILES	[Sb](F)(F)([F-])(F)(F)F.[Ru]12345(Cl)([N]#CN(C)C)([cH]6[cH]1[c]4([cH]5[cH]2[c]36C(C)C)C)[P](OCC)(C)C
Title of publication	Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights
Authors of publication	González-Fernández, Rebeca; Álvarez, Daniel; Crochet, Pascale; Cadierno, Victorio; Menéndez, M. Isabel; López, Ramón
Journal of publication	Catalysis Science & Technology
Year of publication	2020
Journal volume	10
Journal issue	12
Pages of publication	4084 - 4098
a	8.3717 ± 0.0003 Å
b	21.574 ± 0.0006 Å
c	14.8558 ± 0.0006 Å
α	90°
β	105.025 ± 0.004°
γ	90°
Cell volume	2591.39 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
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	0.0705
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1477
Weighted residual factors for all reflections included in the refinement	0.1647
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257220 (current)	2020-10-06	cif/ Updating files of 1558164, 1558165 Original log message: Adding full bibliography for 1558164--1558165.cif.	1558165.cif
253768	2020-07-06	cif/ Updating files of 1558164, 1558165 Original log message: Adding full bibliography for 1558164--1558165.cif.	1558165.cif
252526	2020-06-02	cif/ Adding structures of 1558164, 1558165 via cif-deposit CGI script.	1558165.cif