Crystallography Open Database

Information card for entry 1513602

Preview

Coordinates	1513602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H65 Cl N2 O3 Rh Si
Calculated formula	C38.04 H57.517 Cl N2 O3 Rh Si
SMILES	[Rh]123(Cl)([CH]4=[CH]1CC[CH]2=[CH]3CC4)=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)CCC[Si](OC(C)C)(OC(C)C)OC(C)C.CCCCCC
Title of publication	Heterogeneous catalysts based on supported Rh‒NHC complexes: synthesis of high molecular weight poly(silyl ether)s by catalytic hydrosilylation
Authors of publication	Lázaro, Guillermo; Fernández-Alvarez, Francisco J.; Iglesias, Manuel; Horna, Cristina; Vispe, Eugenio; Sancho, Rodrigo; Lahoz, Fernando J.; Iglesias, Marta; Pérez-Torrente, Jesús J.; Oro, Luis A.
Journal of publication	Catalysis Science & Technology
Year of publication	2014
Journal volume	4
Journal issue	1
Pages of publication	62
a	10.2529 ± 0.0012 Å
b	12.602 ± 0.0015 Å
c	16.39 ± 0.002 Å
α	73.082 ± 0.002°
β	87.303 ± 0.002°
γ	89.419 ± 0.002°
Cell volume	2023.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0772
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513602.cif
105081	2014-03-11	cif/ Adding structures of 1513602 via cif-deposit CGI script.	1513602.cif