Crystallography Open Database

Information card for entry 1564050

Preview

Coordinates	1564050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H55 N O10 P2 Ru2 Si2
Calculated formula	C52 H55 N O10 P2 Ru2 Si2
SMILES	[Ru]12([Ru]([P](c3ccccc3)(c3ccccc3)c3ccccc3)(C#[O])(C#[O])([O]=C(CO[Si](C)(C)C)O1)OC(CO[Si](C)(C)C)=[O]2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].CC#N
Title of publication	Encapsulating ruthenium in silica using a single source precursor: Differing outcomes for a cycloaddition reaction
Authors of publication	Barik, Chandan Kr; Ganguly, Rakesh; Garcia, Felipe; Leong, Weng Kee
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119833
a	10.5028 ± 0.0003 Å
b	13.6946 ± 0.0004 Å
c	20.5244 ± 0.0006 Å
α	72.1988 ± 0.0016°
β	85.7229 ± 0.0017°
γ	71.1619 ± 0.0014°
Cell volume	2659.21 ± 0.14 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0477
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267385 (current)	2021-07-08	cif/ Adding structures of 1564050 via cif-deposit CGI script.	1564050.cif