Crystallography Open Database

Information card for entry 4088249

Preview

Coordinates	4088249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H45 Cl3 N2 Ru Si
Calculated formula	C33 H45 Cl3 N2 Ru Si
SMILES	[RuH]1234([Si](Cl)(Cl)C)(Cl)([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	Half-Sandwich Silane σ-Complexes of Ruthenium Supported by NHC Carbene
Authors of publication	Mai, Van Hung; Korobkov, Ilia; Nikonov, Georgii I.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	7
Pages of publication	936
a	17.4593 ± 0.0011 Å
b	12.4412 ± 0.0008 Å
c	15.8779 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3448.9 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
237412 (current)	2019-11-24	cif/ Adding structures of 4088249 via cif-deposit CGI script.	4088249.cif