Crystallography Open Database

Information card for entry 4084049

Preview

Coordinates	4084049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H77 Cl N2 P2 Ru Si
Calculated formula	C44 H77 Cl N2 P2 Ru Si
SMILES	[Ru]12(=[Si]3N(C=CN3C(C)(C)C)C(C)(C)C)(Cl)[P](C3CCCCC3)(C3CCCCC3)CC2CC[P]1(C1CCCCC1)C1CCCCC1.c1ccccc1
Title of publication	A Stable Silylene in a Reactive Environment: Synthesis, Reactivity, and Silicon Extrusion Chemistry of a Coordinatively Unsaturated Ruthenium Silylene Complex Containing Chloride and η3-P‒C‒P Ligands
Authors of publication	Amoroso, Dino; Haaf, Michael; Yap, Glenn P. A.; West, Robert; Fogg, Deryn E.
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	3
Pages of publication	534 - 540
a	13.503 ± 0.001 Å
b	17.697 ± 0.002 Å
c	20.11 ± 0.002 Å
α	90°
β	105.742 ± 0.002°
γ	90°
Cell volume	4625.3 ± 0.8 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
219035 (current)	2019-10-02	cif/4/08/40/ Updated bibliographic information in entries 4084049-4084051.	4084049.cif
178729	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/40.	4084049.cif
120646	2014-07-22	cif/ Adding structures of 4084049, 4084050, 4084051 via cif-deposit CGI script.	4084049.cif