Crystallography Open Database

Information card for entry 7037299

Preview

Coordinates	7037299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H52 N2 Ru Si
Calculated formula	C39 H52 N2 Ru Si
SMILES	[RuH2]1234([SiH](c5ccccc5)C)([cH]5[cH]1[cH]2[cH]3[cH]45)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	NHC carbene supported half-sandwich hydridosilyl complexes of ruthenium: the impact of supporting ligands on SiH interligand interactions.
Authors of publication	Mai, Van Hung; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	1
Pages of publication	208 - 215
a	10.2931 ± 0.0002 Å
b	16.9562 ± 0.0003 Å
c	20.973 ± 0.0004 Å
α	90°
β	97.4911 ± 0.0011°
γ	90°
Cell volume	3629.22 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
176118 (current)	2016-02-05	cif/ Updating files of 7037294, 7037295, 7037296, 7037297, 7037298, 7037299, 7037300 Original log message: Adding full bibliography for 7037294--7037300.cif.	7037299.cif
170385	2015-11-18	cif/ Adding structures of 7037294, 7037295, 7037296, 7037297, 7037298, 7037299, 7037300 via cif-deposit CGI script.	7037299.cif