Crystallography Open Database

Information card for entry 7037297

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Coordinates	7037297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H49 Cl N2 Ru Si
Calculated formula	C34 H49 Cl N2 Ru Si
SMILES	[RuH2]1234([Si](Cl)(C)C)([cH]5[cH]4[cH]3[cH]2[cH]15)=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	19.0229 ± 0.0007 Å
b	19.7991 ± 0.0005 Å
c	19.6305 ± 0.0007 Å
α	90°
β	113.641 ± 0.004°
γ	90°
Cell volume	6773.1 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.094
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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.	7037297.cif
170385	2015-11-18	cif/ Adding structures of 7037294, 7037295, 7037296, 7037297, 7037298, 7037299, 7037300 via cif-deposit CGI script.	7037297.cif