Crystallography Open Database

Information card for entry 7110255

Preview

Coordinates	7110255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H29 Cl3 Ru2
Calculated formula	C20 H29 Cl3 Ru2
SMILES	[Ru]123456([H][Ru]789%10%11([Cl]1)(Cl)([cH]1[cH]8[c]9([cH]%10[cH]%11[c]71C(C)C)C))(Cl)[c]1([cH]2[cH]3[c]4(C(C)C)[cH]5[cH]61)C
Title of publication	Ruthenium catalyzed selective hydrosilylation of aldehydes
Authors of publication	Basujit Chatterjee; Chidambaram Gunanathan
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	888
a	13.664 ± 0.0006 Å
b	15.9211 ± 0.0007 Å
c	19.2494 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4187.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.0424
Weighted residual factors for all reflections included in the refinement	0.0447
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
180216 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/02.	7110255.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7110255.cif
93835	2014-01-15	cif/ Adding structures of 7110255, 7110256 via cif-deposit CGI script.	7110255.cif