Crystallography Open Database

Information card for entry 7037294

Preview

Coordinates	7037294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H59 F6 N4 O P Ru
Calculated formula	C46 H59 F6 N4 O P Ru
SMILES	[Ru]1234([n]5ccccc5)([n]5ccccc5)([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.[P](F)(F)(F)(F)(F)[F-].O1CCCC1
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	12.0812 ± 0.0003 Å
b	12.9431 ± 0.0003 Å
c	14.3806 ± 0.0003 Å
α	98.2779 ± 0.0011°
β	99.9999 ± 0.001°
γ	90.2522 ± 0.0012°
Cell volume	2190.44 ± 0.09 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.041
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	7037294.cif
170385	2015-11-18	cif/ Adding structures of 7037294, 7037295, 7037296, 7037297, 7037298, 7037299, 7037300 via cif-deposit CGI script.	7037294.cif