Crystallography Open Database

Information card for entry 4088246

Preview

Coordinates	4088246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H49 Cl N2 Ru Si
Calculated formula	C38 H49 Cl N2 Ru Si
SMILES	[RuH]1234([SiH2]c5ccccc5)(Cl)([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	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	11.4152 ± 0.0006 Å
b	15.9638 ± 0.0009 Å
c	19.8855 ± 0.001 Å
α	95.4893 ± 0.0017°
β	98.277 ± 0.0016°
γ	91.0324 ± 0.0016°
Cell volume	3567.7 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
251896 (current)	2020-05-08	cif/4 Fixing Z values and formulae	4088246.cif
237409	2019-11-24	cif/ Adding structures of 4088246 via cif-deposit CGI script.	4088246.cif