Crystallography Open Database

Information card for entry 4077448

Preview

Coordinates	4077448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H45 F6 N2 O P Ru Si
Calculated formula	C25 H45 F6 N2 O P Ru Si
SMILES	[Ru]123456([N](C(C)C)=C(N(C(C)C)C6[Si](C)(C)C)C)([c]6([c]5([c]4([c]3([c]2([c]16C)C)C)C)C)C)C#[O].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Ruthenium Amidinato−Carbene Complexes Containing a Ru−Si Bond: Formation and Reversible α-Silyl Group Migration from the Metal to the Carbene Ligand
Authors of publication	Hayashida, Taizo; Nagashima, Hideo
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	24
Pages of publication	4996
a	22.25 ± 0.004 Å
b	9.234 ± 0.003 Å
c	15.137 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3110 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.1777
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	0.898
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178663 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/74.	4077448.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077448.cif
54351	2012-04-24	cif/ Adding structures of 4077447, 4077448 via cif-deposit CGI script.	4077448.cif